PDBID stringlengths 4 4 | Resolution stringlengths 1 13 | Year int64 1.98k 2.02k | Ligand Name stringlengths 1 7 | Ligand Chain stringclasses 53
values | Ligand Residue Number stringlengths 1 9 | Binding Affinity Measurement stringclasses 4
values | Binding Affinity Sign stringclasses 6
values | Binding Affinity Value float64 0 500M | Binding Affinity Unit stringclasses 6
values | Log Binding Affinity float64 -14 2.97 ⌀ | Binding Affinity Source stringclasses 3
values | Binding Affinity Annotation stringlengths 6 72 | Protein UniProtID stringlengths 6 55 ⌀ | Protein UniProtName stringlengths 2 575 ⌀ | Ligand SMILES stringlengths 4 352 | Ligand MW float64 44 1.82k | Ligand LogP float64 -23.01 13.7 | Ligand TPSA float64 0 786 | Ligand NumRotBond int64 0 59 | Ligand NumHeavyAtoms int64 3 120 | Ligand NumHDon int64 0 30 | Ligand NumHAcc int64 0 56 | Ligand QED float64 0.01 0.95 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2xjx | 1.66 | 2,010 | XJX | A | 1232 | kd | = | 0.71 | nM | -9.148742 | MOAD | Kd=0.71nM | P07900 | HEAT SHOCK PROTEIN HSP 90-ALPHA | CC(C)c1cc(C(=O)N2Cc3ccc(C[NH+]4CCN(C)CC4)cc3C2)c(O)cc1O | 410.538 | 1.7075 | 68.45 | 4 | 30 | 3 | 4 | 0.717921 |
2xk2 | 1.95 | 2,010 | ADP | A | 1226 | kd | = | 10 | uM | -5 | MOAD | Kd=10.0uM | P07900 | HEAT SHOCK PROTEIN HSP 90-ALPHA | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O | 424.179 | -3.642 | 241.09 | 6 | 27 | 3 | 15 | 0.378904 |
2xk4 | 2.1 | 2,010 | OL2 | A | 1280 | ic50 | = | 16.9 | uM | -4.772113 | MOAD | ic50=16.9uM | P51955 | SERINE/THREONINE-PROTEIN KINASE NEK2 | CCOc1cc(-c2nc(-c3cc(OC)c(OC)c(OC)c3)cnc2N)ccc1C(=O)[O-] | 424.433 | 2.1808 | 128.85 | 8 | 31 | 1 | 9 | 0.578195 |
2xk7 | 1.992 | 2,010 | 30E | A | 1280 | ic50 | = | 1.5 | uM | -5.823909 | MOAD | ic50=1.5uM | P51955 | SERINE/THREONINE-PROTEIN KINASE NEK2 | CC[C@H]1CN(c2nc(-c3cc(OC)c(OC)c(OC)c3)cnc2N)CC[C@H]1C(=O)[O-] | 415.47 | 1.354 | 122.86 | 7 | 30 | 1 | 9 | 0.713594 |
2xk8 | 2.001 | 2,010 | 5R1 | A | 1280 | ic50 | = | 2.4 | uM | -5.619789 | MOAD | ic50=2.4uM | P51955 | SERINE/THREONINE-PROTEIN KINASE NEK2 | COc1cc(-c2nc(-c3cc(OC)c(OC)c(OC)c3)cnc2N)ccc1C(=O)[O-] | 410.406 | 1.7907 | 128.85 | 7 | 30 | 1 | 9 | 0.619486 |
2xk9 | 2.35 | 2,011 | XK9 | A | 1511 | ic50 | = | 0.03 | nM | -10.522879 | MOAD | ic50=0.03nM | O96017 | CHECKPOINT KINASE 2 | C/C(=N\NC(=[NH2+])NO)c1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1 | 396.387 | 0.7359 | 170.27 | 5 | 29 | 6 | 5 | 0.160663 |
2xkc | 2.5 | 2,010 | 4VQ | A | 1280 | ic50 | = | 2.6 | uM | -5.585027 | MOAD | ic50=2.6uM | P51955 | SERINE/THREONINE-PROTEIN KINASE NEK2 | COc1cc(-c2cnc(N)c(-c3ccc(C(=O)[O-])c(C)c3)n2)cc(OC)c1OC | 394.407 | 2.09052 | 119.62 | 6 | 29 | 1 | 8 | 0.674811 |
2xkd | 1.96 | 2,010 | T3M | A | 1280 | ic50 | = | 2.3 | uM | -5.638272 | MOAD | ic50=2.3uM | P51955 | SERINE/THREONINE-PROTEIN KINASE NEK2 | COc1cc(-c2cnc(N)c(-c3ccc(C(=O)[O-])cc3)n2)cc(OC)c1OC | 380.38 | 1.7821 | 119.62 | 6 | 28 | 1 | 8 | 0.687115 |
2xke | 2.203 | 2,010 | WI2 | A | 1280 | ic50 | = | 4.2 | uM | -5.376751 | MOAD | ic50=4.2uM | P51955 | SERINE/THREONINE-PROTEIN KINASE NEK2 | COc1cccc(-c2cnc(N)c(N3CCC(C(=O)[O-])CC3)n2)c1 | 327.364 | 0.7007 | 104.4 | 4 | 24 | 1 | 7 | 0.881044 |
2xkf | 2.35 | 2,010 | BX1 | A | 1280 | ic50 | = | 0.87 | uM | -6.060481 | MOAD | ic50=0.87uM | P51955 | SERINE/THREONINE-PROTEIN KINASE NEK2 | COc1cc(-c2cnc(N)c(N3CCC(C(=O)[O-])CC3)n2)cc(OC)c1OC | 387.416 | 0.7179 | 122.86 | 6 | 28 | 1 | 9 | 0.763317 |
2xkw | 2.02 | 2,011 | P1B | A | 1478 | kd | = | 871 | nM | -6.059982 | BindingDB | EC50=250nM,IC50=1700nM,Kd=871nM,Ki=420nM | P37231 | PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA | CCc1ccc(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1 | 356.447 | 3.1596 | 68.29 | 7 | 25 | 1 | 5 | 0.825254 |
2xkw | 2.02 | 2,011 | P1B | B | 1475 | kd | = | 871 | nM | -6.059982 | BindingDB | EC50=250nM,IC50=1700nM,Kd=871nM,Ki=420nM | P37231 | PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA | CCc1ccc(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1 | 356.447 | 3.1596 | 68.29 | 7 | 25 | 1 | 5 | 0.825254 |
2xm1 | 2.0 | 2,011 | LTM | B | 1716 | kd | = | 8.5 | uM | -5.070581 | MOAD | Kd=8.5uM | Q89ZI2 | O-GLCNACASE BT_4395 | CC(=O)N[C@H]1C(=O)N[C@H](CO)[C@@H](O)[C@@H]1O | 218.209 | -3.2964 | 118.89 | 2 | 15 | 5 | 5 | 0.332545 |
2xm1 | 2.0 | 2,011 | LTM | A | 1717 | kd | = | 8.5 | uM | -5.070581 | MOAD | Kd=8.5uM | Q89ZI2 | O-GLCNACASE BT_4395 | CC(=O)N[C@H]1C(=O)N[C@H](CO)[C@@H](O)[C@@H]1O | 218.209 | -3.2964 | 118.89 | 2 | 15 | 5 | 5 | 0.332545 |
2xm2 | 1.95 | 2,011 | LOG | B | 1000 | ki | = | 24 | uM | -4.619789 | MOAD | Ki=24.0uM | Q89ZI2,Q89ZI2 | O-GLCNACASE BT_4395,O-GLCNACASE BT_4395 | CC(=O)N[C@H]1C(=NO)O[C@H](CO)[C@@H](O)[C@@H]1O | 234.208 | -2.6083 | 131.61 | 2 | 16 | 5 | 7 | 0.26262 |
2xm2 | 1.95 | 2,011 | LOG | A | 1000 | ki | = | 24 | uM | -4.619789 | MOAD | Ki=24.0uM | Q89ZI2 | O-GLCNACASE BT_4395 | CC(=O)N[C@H]1/C(=N/O)O[C@H](CO)[C@@H](O)[C@@H]1O | 234.208 | -2.6083 | 131.61 | 2 | 16 | 5 | 7 | 0.26262 |
2xm8 | 3.4 | 2,011 | B4W | A | 1504 | ic50 | = | 160 | nM | -6.79588 | BindingDB | IC50=160nM | O96017 | SERINE/THREONINE-PROTEIN KINASE CHK2 | Oc1ccccc1-c1nc(N[C@H]2CC[NH2+]C2)c2ccccc2n1 | 307.377 | 1.75 | 74.65 | 3 | 23 | 3 | 4 | 0.688999 |
2xm9 | 2.5 | 2,011 | LWH | A | 1513 | ic50 | = | 0.009 | uM | -8.045757 | MOAD | ic50=0.009uM | O96017 | SERINE/THREONINE-PROTEIN KINASE CHK2 | Oc1ccc(-c2ccn[nH]2)cc1-c1nc(N[C@H]2CC[NH2+]C2)c2ccccc2n1 | 373.44 | 2.1401 | 103.33 | 4 | 28 | 4 | 5 | 0.438833 |
2xmy | 1.9 | 2,010 | CDK | A | 500 | ki | = | 0.11 | nM | -9.958607 | MOAD | Ki=0.11nM | P24941 | CELL DIVISION PROTEIN KINASE 2 | COCCNS(=O)(=O)c1ccc(Nc2nccc(-c3sc(=O)n(C)c3C)n2)cc1 | 435.531 | 1.88052 | 115.21 | 8 | 29 | 2 | 9 | 0.519184 |
2xn3 | 2.09 | 2,011 | ID8 | A | 1356 | kd | = | 89 | nM | -7.05061 | MOAD | Kd=89.0nM | P05543,P05543 | THYROXINE-BINDING GLOBULIN,THYROXINE-BINDING GLOBULIN | Cc1cccc(Nc2ccccc2C(=O)[O-])c1C | 240.282 | 2.41054 | 52.16 | 3 | 18 | 1 | 3 | 0.895905 |
2xn5 | 1.7 | 2,011 | FUN | A | 1356 | kd | = | 123 | nM | -6.910095 | MOAD | Kd=123.0nM | P05543,P05543 | THYROXINE-BINDING GLOBULIN,THYROXINE-BINDING GLOBULIN | NS(=O)(=O)c1cc(C(=O)[O-])c(NCc2ccco2)cc1Cl | 329.741 | 0.556 | 125.46 | 5 | 21 | 2 | 6 | 0.824922 |
2xnb | 1.85 | 2,010 | Y8L | A | 1299 | ki | = | 149 | nM | -6.826814 | MOAD | Ki=149.0nM | P24941 | CELL DIVISION PROTEIN KINASE 2 | Cc1c(-c2ccnc(N=C3C=CC(N4CC[NH2+]CC4)=CC3)n2)sc(=O)n1C | 383.501 | 1.00752 | 79.99 | 3 | 27 | 1 | 7 | 0.857812 |
2xne | 2.8 | 2,010 | ASH | A | 1389 | ic50 | = | 190 | nM | -6.721246 | BindingDB | IC50=190nM | O14965 | SERINE/THREONINE-PROTEIN KINASE 6 | Clc1cnc2c(Nc3ccc(N4CCOCC4)cc3)nc(-c3cccnc3)cn12 | 406.877 | 4.0249 | 67.58 | 4 | 29 | 1 | 7 | 0.551665 |
2xnj | 1.9 | 2,011 | FAD | A | 1257 | kd | = | 1.1 | nM | -8.958607 | MOAD | Kd=1.1nM | P28861 | FERREDOXIN NADP-H REDUCTASE | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)c2cc1C | 783.541 | -3.68796 | 368.59 | 13 | 53 | 7 | 23 | 0.044623 |
2xnj | 1.9 | 2,011 | NAP | A | 1258 | kd | = | 7.5 | uM | -5.124939 | MOAD | Kd=7.5uM | P28861 | FERREDOXIN NADP-H REDUCTASE | NC(=O)c1ccc[n+]([C@@H]2O[C@H](CO[P@](=O)([O-])O[P@](=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)c1 | 740.385 | -5.4269 | 376.11 | 13 | 48 | 5 | 22 | 0.080579 |
2xnj | 1.9 | 2,011 | NAP | B | 1258 | kd | = | 7.5 | uM | -5.124939 | MOAD | Kd=7.5uM | P28861 | FERREDOXIN NADP-H REDUCTASE | NC(=O)c1ccc[n+]([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)c1 | 740.385 | -5.4269 | 376.11 | 13 | 48 | 5 | 22 | 0.080579 |
2xnj | 1.9 | 2,011 | FAD | B | 1257 | kd | = | 1.1 | nM | -8.958607 | MOAD | Kd=1.1nM | P28861 | FERREDOXIN NADP-H REDUCTASE | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O[P@@](=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)c2cc1C | 783.541 | -3.68796 | 368.59 | 13 | 53 | 7 | 23 | 0.044623 |
2xnm | 1.85 | 2,011 | WGZ | A | 1280 | ic50 | = | 0.16 | uM | -6.79588 | MOAD | ic50=0.16uM | P51955 | SERINE/THREONINE-PROTEIN KINASE NEK2 | C[C@@H](Oc1cc(-n2cnc3ccc(O[C@H]4CC[N@@H+](C)CC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F | 545.607 | 4.4006 | 83.81 | 7 | 38 | 2 | 6 | 0.360745 |
2xnn | 2.5 | 2,011 | 430 | A | 1280 | ic50 | >= | 50,000 | nM | -4.30103 | BindingDB | IC50=>50000nM | P51955 | SERINE/THREONINE-PROTEIN KINASE NEK2 | C[C@@H](Oc1cc(-n2cnc3ccccc32)sc1C(N)=O)c1ccccc1C(F)(F)F | 431.439 | 5.3447 | 70.14 | 5 | 30 | 1 | 5 | 0.463442 |
2xno | 1.98 | 2,011 | ED8 | A | 1280 | ic50 | = | 1.18 | uM | -5.928118 | MOAD | ic50=1.18uM | P51955 | SERINE/THREONINE-PROTEIN KINASE NEK2 | C[N@H+]1CC[C@H](Oc2ccc3ncn(-c4cc(OCc5ccccc5C(F)(F)F)c(C(N)=O)s4)c3c2)CC1 | 531.58 | 3.8396 | 83.81 | 7 | 37 | 2 | 6 | 0.379762 |
2xnp | 1.98 | 2,011 | WCX | A | 1280 | ic50 | = | 0.36 | uM | -6.443697 | MOAD | ic50=0.36uM | P51955 | SERINE/THREONINE-PROTEIN KINASE NEK2 | C[C@@H](Oc1cc(-n2cnc3cc(O[C@H]4CC[N@@H+](C)CC4)ccc32)ccc1C(N)=O)c1ccccc1C(F)(F)F | 539.578 | 4.3391 | 83.81 | 7 | 39 | 2 | 5 | 0.366186 |
2xnv | 2.44 | 2,011 | VU3 | B | 301 | ki | = | 5 | uM | -5.30103 | MOAD | Ki=5.0uM | Q8WSF8,Q8WSF8 | SOLUBLE ACETYLCHOLINE RECEPTOR,SOLUBLE ACETYLCHOLINE RECEPTOR | c1ccc([C@H]2CC[N@H+](CCc3cc4ccccc4[nH]3)CC2)cc1 | 305.445 | 3.1729 | 20.23 | 4 | 23 | 2 | 0 | 0.738344 |
2xnv | 2.44 | 2,011 | VU3 | J | 301 | ki | = | 5 | uM | -5.30103 | MOAD | Ki=5.0uM | Q8WSF8,Q8WSF8 | SOLUBLE ACETYLCHOLINE RECEPTOR,SOLUBLE ACETYLCHOLINE RECEPTOR | c1ccc([C@H]2CC[N@H+](CCc3cc4ccccc4[nH]3)CC2)cc1 | 305.445 | 3.1729 | 20.23 | 4 | 23 | 2 | 0 | 0.738344 |
2xnv | 2.44 | 2,011 | VU3 | I | 301 | ki | = | 5 | uM | -5.30103 | MOAD | Ki=5.0uM | Q8WSF8,Q8WSF8 | SOLUBLE ACETYLCHOLINE RECEPTOR,SOLUBLE ACETYLCHOLINE RECEPTOR | c1ccc([C@H]2CC[N@H+](CCc3cc4ccccc4[nH]3)CC2)cc1 | 305.445 | 3.1729 | 20.23 | 4 | 23 | 2 | 0 | 0.738344 |
2xnv | 2.44 | 2,011 | VU3 | A | 301 | ki | = | 5 | uM | -5.30103 | MOAD | Ki=5.0uM | Q8WSF8,Q8WSF8 | SOLUBLE ACETYLCHOLINE RECEPTOR,SOLUBLE ACETYLCHOLINE RECEPTOR | c1ccc([C@H]2CC[N@H+](CCc3cc4ccccc4[nH]3)CC2)cc1 | 305.445 | 3.1729 | 20.23 | 4 | 23 | 2 | 0 | 0.738344 |
2xnv | 2.44 | 2,011 | VU3 | H | 301 | ki | = | 5 | uM | -5.30103 | MOAD | Ki=5.0uM | Q8WSF8,Q8WSF8 | SOLUBLE ACETYLCHOLINE RECEPTOR,SOLUBLE ACETYLCHOLINE RECEPTOR | c1ccc([C@H]2CC[N@H+](CCc3cc4ccccc4[nH]3)CC2)cc1 | 305.445 | 3.1729 | 20.23 | 4 | 23 | 2 | 0 | 0.738344 |
2xnv | 2.44 | 2,011 | VU3 | C | 301 | ki | = | 5 | uM | -5.30103 | MOAD | Ki=5.0uM | Q8WSF8,Q8WSF8 | SOLUBLE ACETYLCHOLINE RECEPTOR,SOLUBLE ACETYLCHOLINE RECEPTOR | c1ccc([C@H]2CC[N@H+](CCc3cc4ccccc4[nH]3)CC2)cc1 | 305.445 | 3.1729 | 20.23 | 4 | 23 | 2 | 0 | 0.738344 |
2xnv | 2.44 | 2,011 | VU3 | D | 301 | ki | = | 5 | uM | -5.30103 | MOAD | Ki=5.0uM | Q8WSF8,Q8WSF8 | SOLUBLE ACETYLCHOLINE RECEPTOR,SOLUBLE ACETYLCHOLINE RECEPTOR | c1ccc([C@H]2CC[N@H+](CCc3cc4ccccc4[nH]3)CC2)cc1 | 305.445 | 3.1729 | 20.23 | 4 | 23 | 2 | 0 | 0.738344 |
2xnv | 2.44 | 2,011 | VU3 | E | 301 | ki | = | 5 | uM | -5.30103 | MOAD | Ki=5.0uM | Q8WSF8,Q8WSF8 | SOLUBLE ACETYLCHOLINE RECEPTOR,SOLUBLE ACETYLCHOLINE RECEPTOR | c1ccc([C@H]2CC[N@H+](CCc3cc4ccccc4[nH]3)CC2)cc1 | 305.445 | 3.1729 | 20.23 | 4 | 23 | 2 | 0 | 0.738344 |
2xnv | 2.44 | 2,011 | VU3 | F | 301 | ki | = | 5 | uM | -5.30103 | MOAD | Ki=5.0uM | Q8WSF8,Q8WSF8 | SOLUBLE ACETYLCHOLINE RECEPTOR,SOLUBLE ACETYLCHOLINE RECEPTOR | c1ccc([C@H]2CC[N@H+](CCc3cc4ccccc4[nH]3)CC2)cc1 | 305.445 | 3.1729 | 20.23 | 4 | 23 | 2 | 0 | 0.738344 |
2xnv | 2.44 | 2,011 | VU3 | G | 301 | ki | = | 5 | uM | -5.30103 | MOAD | Ki=5.0uM | Q8WSF8,Q8WSF8 | SOLUBLE ACETYLCHOLINE RECEPTOR,SOLUBLE ACETYLCHOLINE RECEPTOR | c1ccc([C@H]2CC[N@H+](CCc3cc4ccccc4[nH]3)CC2)cc1 | 305.445 | 3.1729 | 20.23 | 4 | 23 | 2 | 0 | 0.738344 |
2xp2 | 1.9 | 2,010 | VGH | A | 9000 | kd | = | 3.3 | nM | -8.481486 | BindingDB | IC50=20nM,Ki=8.2nM,EC50=22840nM,Kd=3.3nM | Q9UM73 | TYROSINE-PROTEIN KINASE RECEPTOR | C[C@@H](Oc1cc(-c2cnn(C3CC[NH2+]CC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl | 451.353 | 4.0115 | 82.57 | 5 | 30 | 2 | 5 | 0.574691 |
2xp3 | 2.0 | 2,011 | B21 | A | 1165 | ic50 | >= | 1,000,000 | nM | -3 | BindingDB | IC50=>1000000nM | Q13526 | PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 | COc1ccccc1-c1ccc(C(=O)[O-])o1 | 217.2 | 1.3187 | 62.5 | 3 | 16 | 0 | 4 | 0.777333 |
2xp4 | 1.8 | 2,011 | G14 | A | 1165 | ic50 | = | 180 | uM | -3.744727 | MOAD | ic50=180.0uM | Q13526 | PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 | O=C([O-])c1c[nH]c(-c2ccccc2)n1 | 187.178 | 0.4402 | 68.81 | 2 | 14 | 1 | 3 | 0.741193 |
2xp5 | 1.9 | 2,011 | 4FF | A | 1165 | ic50 | = | 360 | uM | -3.443697 | MOAD | ic50=360.0uM | Q13526 | PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 | Cc1[nH]c(-c2ccccc2)nc1C(=O)[O-] | 201.205 | 0.74862 | 68.81 | 2 | 15 | 1 | 3 | 0.778967 |
2xp6 | 1.9 | 2,011 | 4G2 | A | 1165 | ic50 | = | 20 | uM | -4.69897 | MOAD | ic50=20.0uM | Q13526 | PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 | Cc1[nH]c(-c2cccc(Cl)c2)nc1C(=O)[O-] | 235.65 | 1.40202 | 68.81 | 2 | 16 | 1 | 3 | 0.855596 |
2xp7 | 2.0 | 2,011 | 4F8 | A | 1164 | kd | = | 1.7 | uM | -5.769551 | MOAD | Kd=1.7uM | Q13526 | PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 | O=C([O-])c1nc(-c2ccccc2)[nH]c1C(=O)[O-] | 230.179 | -1.1963 | 108.94 | 3 | 17 | 1 | 5 | 0.712072 |
2xp8 | 2.1 | 2,011 | 4FY | A | 1165 | ic50 | = | 15 | uM | -4.823909 | MOAD | ic50=15.0uM | Q13526 | PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 | O=C([O-])c1[nH]c(-c2ccccc2)nc1C(=O)N1CCOCC1 | 300.294 | -0.0874 | 98.35 | 3 | 22 | 1 | 5 | 0.854083 |
2xpa | 1.9 | 2,011 | 4G5 | A | 1165 | ic50 | = | 4.1 | uM | -5.387216 | MOAD | ic50=4.1uM | Q13526 | PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 | CN(CC(N)=O)C(=O)c1nc(-c2ccccc2)[nH]c1C(=O)[O-] | 301.282 | -1.0025 | 132.21 | 5 | 22 | 2 | 5 | 0.730417 |
2xpb | 2.0 | 2,011 | 4GE | A | 1165 | ic50 | = | 2 | uM | -5.69897 | MOAD | ic50=2.0uM | Q13526 | PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 | CN(Cc1ccccc1)C(=O)c1[nH]c(-c2cccc(Cl)c2)nc1C(=O)[O-] | 368.8 | 2.3658 | 89.12 | 5 | 26 | 1 | 4 | 0.748268 |
2xpc | 1.49 | 2,011 | 051 | A | 500 | ki | = | 125 | uM | -3.90309 | MOAD | Ki=125.0uM | P14900 | UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE | N#Cc1ccc(COc2ccc3cc(S(=O)(=O)N[C@H]4CC[C@@H](C(=O)[O-])C[C@H]4C(=O)[O-])ccc3c2)c(F)c1 | 524.526 | 0.99258 | 159.45 | 8 | 37 | 1 | 8 | 0.456658 |
2xpk | 2.4 | 2,011 | Z0M | A | 1625 | ki | = | 0.005 | nM | -11.30103 | MOAD | Ki=0.005nM | Q0TR53,Q0TR53 | O-GLCNACASE NAGJ,O-GLCNACASE NAGJ | O=C(CCS)N[C@H]1c2nc(CCc3ccccc3)cn2[C@H](CO)[C@@H](O)[C@@H]1O | 391.493 | 0.4143 | 107.61 | 7 | 27 | 5 | 7 | 0.439739 |
2xpk | 2.4 | 2,011 | Z0M | B | 1625 | ki | = | 0.005 | nM | -11.30103 | MOAD | Ki=0.005nM | Q0TR53,Q0TR53 | O-GLCNACASE NAGJ,O-GLCNACASE NAGJ | O=C(CCS)N[C@H]1c2nc(CCc3ccccc3)cn2[C@H](CO)[C@@H](O)[C@@H]1O | 391.493 | 0.4143 | 107.61 | 7 | 27 | 5 | 7 | 0.439739 |
2xsb | 2.11 | 2,011 | GDL | A | 1436 | ic50 | = | 11 | uM | -4.958607 | MOAD | ic50=11.0uM | Q2CEE3 | HYALURONOGLUCOSAMINIDASE | CC(=O)N[C@H]1C(=O)O[C@H](CO)[C@@H](O)[C@@H]1O | 219.193 | -2.8694 | 116.09 | 2 | 15 | 4 | 6 | 0.370921 |
2xtk | 2.0 | 2,011 | AZM | A | 1339 | ic50 | = | 164 | uM | -3.785156 | MOAD | ic50=164.0uM | B0Y2Y2,B0Y2Y2 | CLASS III CHITINASE CHIA1,CLASS III CHITINASE CHIA1 | CC(=O)Nc1nnc(S(N)(=O)=O)s1 | 222.251 | -0.8561 | 115.04 | 2 | 13 | 2 | 6 | 0.631859 |
2xtk | 2.0 | 2,011 | AZM | B | 1339 | ic50 | = | 164 | uM | -3.785156 | MOAD | ic50=164.0uM | B0Y2Y2 | CLASS III CHITINASE CHIA1 | CC(=O)Nc1nnc(S(N)(=O)=O)s1 | 222.251 | -0.8561 | 115.04 | 2 | 13 | 2 | 6 | 0.631859 |
2xtm | 1.7 | 2,010 | GDP | A | 1228 | kd | = | 630 | nM | -6.200659 | MOAD | Kd=630.0nM | Q9UG22 | GTPASE IMAP FAMILY MEMBER 2 | Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1 | 440.178 | -4.3487 | 261.06 | 6 | 28 | 4 | 15 | 0.309446 |
2xtm | 1.7 | 2,010 | GDP | B | 1227 | kd | = | 630 | nM | -6.200659 | MOAD | Kd=630.0nM | Q9UG22 | GTPASE IMAP FAMILY MEMBER 2 | Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1 | 440.178 | -4.3487 | 261.06 | 6 | 28 | 4 | 15 | 0.309446 |
2xtn | 1.9 | 2,010 | GTP | A | 1231 | kd | = | 40 | nM | -7.39794 | MOAD | Kd=40.0nM | Q9UG22 | GTPASE IMAP FAMILY MEMBER 2 | Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1 | 519.149 | -4.8637 | 310.42 | 8 | 32 | 4 | 18 | 0.237484 |
2xud | 2.65 | 2,010 | DME | A | 1544 | ki | = | 460 | nM | -6.337242 | BindingDB | Ki=460nM | P21836 | ACETYLCHOLINESTERASE | C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C | 258.494 | 3.5196 | 0 | 11 | 18 | 0 | 0 | 0.392838 |
2xui | 2.6 | 2,010 | TZ5 | B | 1543 | kd | = | 0.00041 | nM | -12.387216 | BindingDB | Ki=0.410nM,Kd=0.00041nM | P21836 | ACETYLCHOLINESTERASE | Nc1ccc2c(c1)c(-c1ccccc1)[n+](CCCCCCc1cnnn1CCNc1c3c(nc4ccccc14)CCCC3)c1cc(N)ccc21 | 661.878 | 8.0456 | 111.55 | 12 | 50 | 3 | 7 | 0.052903 |
2xui | 2.6 | 2,010 | TZ5 | A | 1545 | kd | = | 0.00041 | nM | -12.387216 | BindingDB | Ki=0.410nM,Kd=0.00041nM | P21836 | ACETYLCHOLINESTERASE | Nc1ccc2c(c1)c(-c1ccccc1)[n+](CCCCCCc1cnnn1CCNc1c3c(nc4ccccc14)CCCC3)c1cc(N)ccc21 | 661.878 | 8.0456 | 111.55 | 12 | 50 | 3 | 7 | 0.052903 |
2xuj | 2.65 | 2,010 | TZ5 | A | 1544 | kd | = | 0.00041 | nM | -12.387216 | BindingDB | Ki=0.410nM,Kd=0.00041nM | P21836 | ACETYLCHOLINESTERASE | Nc1ccc2c(c1)c(-c1ccccc1)[n+](CCCCCCc1cnnn1CCNc1c3c(nc4ccccc14)CCCC3)c1cc(N)ccc21 | 661.878 | 8.0456 | 111.55 | 12 | 50 | 3 | 7 | 0.052903 |
2xuj | 2.65 | 2,010 | TZ5 | B | 1541 | kd | = | 0.00041 | nM | -12.387216 | BindingDB | Ki=0.410nM,Kd=0.00041nM | P21836 | ACETYLCHOLINESTERASE | Nc1ccc2c(c1)c(-c1ccccc1)[n+](CCCCCCc1cnnn1CCNc1c3c(nc4ccccc14)CCCC3)c1cc(N)ccc21 | 661.878 | 8.0456 | 111.55 | 12 | 50 | 3 | 7 | 0.052903 |
2xuk | 2.75 | 2,010 | TZ5 | A | 1543 | kd | = | 0.00041 | nM | -12.387216 | BindingDB | Ki=0.410nM,Kd=0.00041nM | P21836 | ACETYLCHOLINESTERASE | Nc1ccc2c(c1)c(-c1ccccc1)[n+](CCCCCCc1cnnn1CCNc1c3c(nc4ccccc14)CCCC3)c1cc(N)ccc21 | 661.878 | 8.0456 | 111.55 | 12 | 50 | 3 | 7 | 0.052903 |
2xuk | 2.75 | 2,010 | TZ5 | B | 1543 | kd | = | 0.00041 | nM | -12.387216 | BindingDB | Ki=0.410nM,Kd=0.00041nM | P21836 | ACETYLCHOLINESTERASE | Nc1ccc2c(c1)c(-c1ccccc1)[n+](CCCCCCc1cnnn1CCNc1c3c(nc4ccccc14)CCCC3)c1cc(N)ccc21 | 661.878 | 8.0456 | 111.55 | 12 | 50 | 3 | 7 | 0.052903 |
2xup | 2.7 | 2,010 | TZ5 | A | 1548 | kd | = | 0.00041 | nM | -12.387216 | BindingDB | Ki=0.410nM,Kd=0.00041nM | P21836 | ACETYLCHOLINESTERASE | Nc1ccc2c(c1)c(-c1ccccc1)[n+](CCCCCCc1cnnn1CCNc1c3c(nc4ccccc14)CCCC3)c1cc(N)ccc21 | 661.878 | 8.0456 | 111.55 | 12 | 50 | 3 | 7 | 0.052903 |
2xup | 2.7 | 2,010 | TZ5 | B | 1545 | kd | = | 0.00041 | nM | -12.387216 | BindingDB | Ki=0.410nM,Kd=0.00041nM | P21836 | ACETYLCHOLINESTERASE | Nc1ccc2c(c1)c(-c1ccccc1)[n+](CCCCCCc1cnnn1CCNc1c3c(nc4ccccc14)CCCC3)c1cc(N)ccc21 | 661.878 | 8.0456 | 111.55 | 12 | 50 | 3 | 7 | 0.052903 |
2xuz | 1.9 | 2,011 | EB4 | A | 1300 | kd | = | 0.04 | uM | -7.39794 | MOAD | Kd=0.04uM | P40409 | IRON-UPTAKE SYSTEM-BINDING PROTEIN | O=C(N[C@H]1COC(=O)[C@@H](NC(=O)c2cccc(O)c2O)COC(=O)[C@@H](NC(=O)c2cccc(O)c2O)COC1=O)c1cccc(O)c1O | 669.552 | -0.741 | 287.58 | 6 | 48 | 9 | 15 | 0.08873 |
2xv1 | 2.15 | 2,011 | ECA | A | 1301 | kd | = | 1.03 | uM | -5.987163 | MOAD | Kd=1.03uM | P40409 | IRON-UPTAKE SYSTEM-BINDING PROTEIN | O=C(NCc1cc(CNC(=O)c2cccc(O)c2O)cc(CNC(=O)c2cccc(O)c2O)c1)c1cccc(O)c1O | 573.558 | 2.7102 | 208.68 | 9 | 42 | 9 | 9 | 0.134648 |
2xvd | 1.7 | 2,011 | AS6 | A | 1889 | ic50 | = | 0.002 | uM | -8.69897 | MOAD | ic50=0.002uM | P54760 | EPHRIN TYPE-B RECEPTOR 4 | Cc1ccc(CO)cc1N(c1ccnc(Nc2cc(N3CCOCC3)cc(S(C)(=O)=O)c2)n1)C(C)C | 511.648 | 3.80752 | 107.89 | 8 | 36 | 2 | 9 | 0.466695 |
2xvn | 2.35 | 2,010 | KLS | B | 1340 | ic50 | = | 112 | uM | -3.950782 | MOAD | ic50=112.0uM | Q873Y0 | ASPERGILLUS FUMIGATUS CHITINASE A1 | CNC(=O)NC(=N)Nc1ccccc1 | 192.222 | 0.96227 | 77.01 | 1 | 14 | 4 | 2 | 0.394892 |
2xvn | 2.35 | 2,010 | KLS | A | 1338 | ic50 | = | 112 | uM | -3.950782 | MOAD | ic50=112.0uM | Q873Y0 | ASPERGILLUS FUMIGATUS CHITINASE A1 | CNC(=O)NC(=N)Nc1ccccc1 | 192.222 | 0.96227 | 77.01 | 1 | 14 | 4 | 2 | 0.394892 |
2xxt | 1.9 | 2,011 | KAI | B | 900 | kd | = | 39 | nM | -7.408935 | BindingDB | Ki=12.7nM,Kd=39nM,EC50=1800nM | P42260 | GLUTAMATE RECEPTOR, IONOTROPIC KAINATE 2 | C=C(C)[C@H]1C[NH2+][C@H](C(=O)[O-])[C@H]1CC(=O)[O-] | 212.225 | -3.3696 | 96.87 | 4 | 15 | 1 | 4 | 0.49181 |
2xxt | 1.9 | 2,011 | KAI | A | 900 | kd | = | 39 | nM | -7.408935 | BindingDB | Ki=12.7nM,Kd=39nM,EC50=1800nM | P42260 | GLUTAMATE RECEPTOR, IONOTROPIC KAINATE 2 | C=C(C)[C@H]1C[NH2+][C@H](C(=O)[O-])[C@H]1CC(=O)[O-] | 212.225 | -3.3696 | 96.87 | 4 | 15 | 1 | 4 | 0.49181 |
2xxv | 1.7 | 2,011 | KAI | A | 900 | kd | = | 39 | nM | -7.408935 | BindingDB | Ki=12.7nM,Kd=39nM,EC50=1800nM | P42260 | GLUTAMATE RECEPTOR, IONOTROPIC KAINATE 2 | C=C(C)[C@H]1C[NH2+][C@H](C(=O)[O-])[C@H]1CC(=O)[O-] | 212.225 | -3.3696 | 96.87 | 4 | 15 | 1 | 4 | 0.49181 |
2xxv | 1.7 | 2,011 | KAI | B | 900 | kd | = | 39 | nM | -7.408935 | BindingDB | Ki=12.7nM,Kd=39nM,EC50=1800nM | P42260 | GLUTAMATE RECEPTOR, IONOTROPIC KAINATE 2 | C=C(C)[C@H]1C[NH2+][C@H](C(=O)[O-])[C@H]1CC(=O)[O-] | 212.225 | -3.3696 | 96.87 | 4 | 15 | 1 | 4 | 0.49181 |
2xxy | 3.0 | 2,011 | KAI | A | 900 | kd | = | 39 | nM | -7.408935 | BindingDB | Ki=12.7nM,Kd=39nM,EC50=1800nM | P42260 | GLUTAMATE RECEPTOR, IONOTROPIC KAINATE 2 | C=C(C)[C@H]1C[NH2+][C@H](C(=O)[O-])[C@H]1CC(=O)[O-] | 212.225 | -3.3696 | 96.87 | 4 | 15 | 1 | 4 | 0.49181 |
2xxy | 3.0 | 2,011 | KAI | B | 900 | kd | = | 39 | nM | -7.408935 | BindingDB | Ki=12.7nM,Kd=39nM,EC50=1800nM | P42260 | GLUTAMATE RECEPTOR, IONOTROPIC KAINATE 2 | C=C(C)[C@H]1C[NH2+][C@H](C(=O)[O-])[C@H]1CC(=O)[O-] | 212.225 | -3.3696 | 96.87 | 4 | 15 | 1 | 4 | 0.49181 |
2xxy | 3.0 | 2,011 | KAI | C | 900 | kd | = | 39 | nM | -7.408935 | BindingDB | Ki=12.7nM,Kd=39nM,EC50=1800nM | P42260 | GLUTAMATE RECEPTOR, IONOTROPIC KAINATE 2 | C=C(C)[C@H]1C[NH2+][C@H](C(=O)[O-])[C@H]1CC(=O)[O-] | 212.225 | -3.3696 | 96.87 | 4 | 15 | 1 | 4 | 0.49181 |
2xxy | 3.0 | 2,011 | KAI | D | 900 | kd | = | 39 | nM | -7.408935 | BindingDB | Ki=12.7nM,Kd=39nM,EC50=1800nM | P42260 | GLUTAMATE RECEPTOR, IONOTROPIC KAINATE 2 | C=C(C)[C@H]1C[NH2+][C@H](C(=O)[O-])[C@H]1CC(=O)[O-] | 212.225 | -3.3696 | 96.87 | 4 | 15 | 1 | 4 | 0.49181 |
2xxz | 1.8 | 2,010 | 8XQ | A | 3001 | ic50 | = | 100 | nM | -7 | BindingDB | IC50=100nM | O15054 | LYSINE-SPECIFIC DEMETHYLASE 6B | O=C([O-])c1ccc(O)c2ncccc12 | 188.162 | 0.3039 | 73.25 | 1 | 14 | 1 | 4 | 0.698215 |
2xxz | 1.8 | 2,010 | 8XQ | B | 3001 | ic50 | = | 100 | nM | -7 | BindingDB | IC50=100nM | O15054 | LYSINE-SPECIFIC DEMETHYLASE 6B | O=C([O-])c1ccc(O)c2ncccc12 | 188.162 | 0.3039 | 73.25 | 1 | 14 | 1 | 4 | 0.698215 |
2xy9 | 1.97 | 2,011 | 3ES | A | 1636 | ki | = | 0.65 | nM | -9.187087 | MOAD | Ki=0.65nM | P12821 | ANGIOTENSIN-CONVERTING ENZYME | O=C(N[C@@H](Cc1ccccc1)[P@@](=O)([O-])C[C@H](Cc1cc(-c2ccccc2)no1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-])OCc1ccccc1 | 709.692 | 3.8169 | 193.95 | 16 | 51 | 3 | 10 | 0.126886 |
2xy9 | 1.97 | 2,011 | 3ES | A | 1635 | ki | = | 0.65 | nM | -9.187087 | MOAD | Ki=0.65nM | P12821 | ANGIOTENSIN-CONVERTING ENZYME | O=C(N[C@@H](Cc1ccccc1)[P@@](=O)([O-])C[C@H](Cc1cc(-c2ccccc2)no1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-])OCc1ccccc1 | 709.692 | 3.8169 | 193.95 | 16 | 51 | 3 | 10 | 0.126886 |
2xya | 2.4 | 2,011 | 7L4 | A | 1181 | kd | = | 200 | uM | -3.69897 | MOAD | Kd=200.0uM | P04936 | PICORNAIN 3C | Oc1cc(-c2ccccc2)nc2ccccc12 | 221.259 | 3.6074 | 33.12 | 1 | 17 | 1 | 2 | 0.680563 |
2xyd | 2.15 | 2,011 | 3ES | A | 1611 | ki | = | 150 | nM | -6.823909 | MOAD | Ki=150.0nM | P12821 | ANGIOTENSIN-CONVERTING ENZYME | O=C(N[C@@H](Cc1ccccc1)[P@@](=O)([O-])C[C@H](Cc1cc(-c2ccccc2)no1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-])OCc1ccccc1 | 709.692 | 3.8169 | 193.95 | 16 | 51 | 3 | 10 | 0.126886 |
2xyd | 2.15 | 2,011 | 3ES | B | 1611 | ki | = | 150 | nM | -6.823909 | MOAD | Ki=150.0nM | P12821 | ANGIOTENSIN-CONVERTING ENZYME | O=C(N[C@@H](Cc1ccccc1)[P@@](=O)([O-])C[C@H](Cc1cc(-c2ccccc2)no1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-])OCc1ccccc1 | 709.692 | 3.8169 | 193.95 | 16 | 51 | 3 | 10 | 0.126886 |
2xyn | 2.81 | 2,010 | VX6 | A | 547 | kd | = | 4 | nM | -8.39794 | BindingDB | Kd=4nM | P42684 | TYROSINE-PROTEIN KINASE ABL2 | Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)[nH]n1 | 465.607 | 2.08612 | 103.27 | 7 | 33 | 4 | 7 | 0.396314 |
2xyn | 2.81 | 2,010 | VX6 | B | 549 | kd | = | 4 | nM | -8.39794 | BindingDB | Kd=4nM | P42684 | TYROSINE-PROTEIN KINASE ABL2 | Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)[nH]n1 | 465.607 | 2.08612 | 103.27 | 7 | 33 | 4 | 7 | 0.396314 |
2xyn | 2.81 | 2,010 | VX6 | B | 548 | kd | = | 4 | nM | -8.39794 | BindingDB | Kd=4nM | P42684 | TYROSINE-PROTEIN KINASE ABL2 | Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)[nH]n1 | 465.607 | 2.08612 | 103.27 | 7 | 33 | 4 | 7 | 0.396314 |
2xyn | 2.81 | 2,010 | VX6 | B | 547 | kd | = | 4 | nM | -8.39794 | BindingDB | Kd=4nM | P42684,P42684 | TYROSINE-PROTEIN KINASE ABL2,TYROSINE-PROTEIN KINASE ABL2 | Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)[nH]n1 | 465.607 | 2.08612 | 103.27 | 7 | 33 | 4 | 7 | 0.396314 |
2xyn | 2.81 | 2,010 | VX6 | C | 547 | kd | = | 4 | nM | -8.39794 | BindingDB | Kd=4nM | P42684 | TYROSINE-PROTEIN KINASE ABL2 | Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)[nH]n1 | 465.607 | 2.08612 | 103.27 | 7 | 33 | 4 | 7 | 0.396314 |
2xyn | 2.81 | 2,010 | VX6 | C | 548 | kd | = | 4 | nM | -8.39794 | BindingDB | Kd=4nM | P42684 | TYROSINE-PROTEIN KINASE ABL2 | Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)[nH]n1 | 465.607 | 2.08612 | 103.27 | 7 | 33 | 4 | 7 | 0.396314 |
2xyn | 2.81 | 2,010 | VX6 | C | 549 | kd | = | 4 | nM | -8.39794 | BindingDB | Kd=4nM | P42684,P42684,P42684 | TYROSINE-PROTEIN KINASE ABL2,TYROSINE-PROTEIN KINASE ABL2,TYROSINE-PROTEIN KINASE ABL2 | Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)[nH]n1 | 465.607 | 2.08612 | 103.27 | 7 | 33 | 4 | 7 | 0.396314 |
2xys | 1.909 | 2,011 | SY9 | C | 1206 | ki | = | 38 | nM | -7.420216 | MOAD | Ki=38.0nM | Q8WSF8,Q8WSF8 | SOLUBLE ACETYLCHOLINE RECEPTOR,SOLUBLE ACETYLCHOLINE RECEPTOR | O=C1C[C@@H]2OCC=C3C[N@@H+]4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46 | 335.427 | 0.6754 | 33.98 | 0 | 25 | 1 | 2 | 0.707575 |
2xys | 1.909 | 2,011 | SY9 | E | 1207 | ki | = | 38 | nM | -7.420216 | MOAD | Ki=38.0nM | Q8WSF8,Q8WSF8 | SOLUBLE ACETYLCHOLINE RECEPTOR,SOLUBLE ACETYLCHOLINE RECEPTOR | O=C1C[C@@H]2OCC=C3C[N@@H+]4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46 | 335.427 | 0.6754 | 33.98 | 0 | 25 | 1 | 2 | 0.707575 |
2xys | 1.909 | 2,011 | SY9 | A | 1206 | ki | = | 38 | nM | -7.420216 | MOAD | Ki=38.0nM | Q8WSF8,Q8WSF8 | SOLUBLE ACETYLCHOLINE RECEPTOR,SOLUBLE ACETYLCHOLINE RECEPTOR | O=C1C[C@@H]2OCC=C3C[N@@H+]4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46 | 335.427 | 0.6754 | 33.98 | 0 | 25 | 1 | 2 | 0.707575 |
2xys | 1.909 | 2,011 | SY9 | B | 1206 | ki | = | 38 | nM | -7.420216 | MOAD | Ki=38.0nM | Q8WSF8,Q8WSF8 | SOLUBLE ACETYLCHOLINE RECEPTOR,SOLUBLE ACETYLCHOLINE RECEPTOR | O=C1C[C@@H]2OCC=C3C[N@@H+]4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46 | 335.427 | 0.6754 | 33.98 | 0 | 25 | 1 | 2 | 0.707575 |
2xys | 1.909 | 2,011 | SY9 | E | 1206 | ki | = | 38 | nM | -7.420216 | MOAD | Ki=38.0nM | Q8WSF8,Q8WSF8 | SOLUBLE ACETYLCHOLINE RECEPTOR,SOLUBLE ACETYLCHOLINE RECEPTOR | O=C1C[C@@H]2OCC=C3C[N@@H+]4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46 | 335.427 | 0.6754 | 33.98 | 0 | 25 | 1 | 2 | 0.707575 |
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