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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2ixi | 1.8 | 2,006 | TYD | B | 1182 | kd | = | 0.000758 | M | -3.120574 | MOAD | Ka=1320.0M^-1 | Q9HU21,Q9HU21 | DTDP-4-DEHYDRORHAMNOSE 3,5-EPIMERASE,DTDP-4-DEHYDRORHAMNOSE 3,5-EPIMERASE | Cc1cn([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])OP(=O)([O-])[O-])O2)c(=O)[nH]c1=O | 399.165 | -3.17628 | 206.1 | 6 | 25 | 2 | 12 | 0.45596 |
2ixi | 1.8 | 2,006 | TYD | A | 1182 | kd | = | 0.000758 | M | -3.120574 | MOAD | Ka=1320.0M^-1 | Q9HU21,Q9HU21 | DTDP-4-DEHYDRORHAMNOSE 3,5-EPIMERASE,DTDP-4-DEHYDRORHAMNOSE 3,5-EPIMERASE | Cc1cn([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])OP(=O)([O-])[O-])O2)c(=O)[nH]c1=O | 399.165 | -3.17628 | 206.1 | 6 | 25 | 2 | 12 | 0.45596 |
2izf | 1.58 | 1,998 | BTN | B | 300 | kd | = | 1 | nM | -9 | BindingDB | Kd=1.000000nM | P22629,P22629 | STREPTAVIDIN,STREPTAVIDIN | O=C([O-])CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 | 243.308 | -0.5379 | 81.26 | 5 | 16 | 2 | 4 | 0.501852 |
2izf | 1.58 | 1,998 | BTN | D | 301 | kd | = | 1 | nM | -9 | BindingDB | Kd=1.000000nM | P22629,P22629 | STREPTAVIDIN,STREPTAVIDIN | O=C([O-])CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 | 243.308 | -0.5379 | 81.26 | 5 | 16 | 2 | 4 | 0.501852 |
2izg | 1.36 | 1,998 | BTN | D | 301 | kd | = | 1 | nM | -9 | BindingDB | Kd=1.000000nM | P22629,P22629 | STREPTAVIDIN,STREPTAVIDIN | O=C([O-])CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 | 243.308 | -0.5379 | 81.26 | 5 | 16 | 2 | 4 | 0.501852 |
2izg | 1.36 | 1,998 | BTN | B | 300 | kd | = | 1 | nM | -9 | BindingDB | Kd=1.000000nM | P22629,P22629 | STREPTAVIDIN,STREPTAVIDIN | O=C([O-])CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 | 243.308 | -0.5379 | 81.26 | 5 | 16 | 2 | 4 | 0.501852 |
2izh | 1.36 | 1,998 | BTN | D | 300 | kd | = | 1 | nM | -9 | BindingDB | Kd=1.000000nM | P22629,P22629 | STREPTAVIDIN,STREPTAVIDIN | O=C([O-])CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 | 243.308 | -0.5379 | 81.26 | 5 | 16 | 2 | 4 | 0.501852 |
2izh | 1.36 | 1,998 | BTN | B | 300 | kd | = | 1 | nM | -9 | BindingDB | Kd=1.000000nM | P22629,P22629 | STREPTAVIDIN,STREPTAVIDIN | O=C([O-])CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 | 243.308 | -0.5379 | 81.26 | 5 | 16 | 2 | 4 | 0.501852 |
2izi | 1.5 | 1,998 | BTN | A | 300 | kd | = | 1 | nM | -9 | BindingDB | Kd=1.000000nM | P22629 | STREPTAVIDIN | O=C([O-])CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 | 243.308 | -0.5379 | 81.26 | 5 | 16 | 2 | 4 | 0.501852 |
2izj | 1.3 | 1,998 | BTN | A | 300 | kd | = | 1 | nM | -9 | BindingDB | Kd=1.000000nM | P22629 | STREPTAVIDIN | O=C([O-])CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 | 243.308 | -0.5379 | 81.26 | 5 | 16 | 2 | 4 | 0.501852 |
2izl | 1.48 | 1,998 | IMI | B | 300 | kd | = | 1 | uM | -6 | MOAD | Kd=1.0uM | P22629,P22629 | STREPTAVIDIN,STREPTAVIDIN | [NH2+]=C1N[C@H]2[C@H](CS[C@H]2CCCCC(=O)[O-])N1 | 243.332 | -2.5428 | 89.78 | 5 | 16 | 3 | 3 | 0.462875 |
2izl | 1.48 | 1,998 | IMI | D | 300 | kd | = | 1 | uM | -6 | MOAD | Kd=1.0uM | P22629,P22629 | STREPTAVIDIN,STREPTAVIDIN | [NH2+]=C1N[C@H]2[C@H](CS[C@H]2CCCCC(=O)[O-])N1 | 243.332 | -2.5428 | 89.78 | 5 | 16 | 3 | 3 | 0.462875 |
2j0d | 2.75 | 2,006 | ERY | A | 1498 | ic50 | = | 190 | nM | -6.721246 | BindingDB | IC50=190nM | P08684 | CYTOCHROME P450 3A4 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O | 734.945 | 0.3685 | 195.11 | 7 | 51 | 6 | 13 | 0.196762 |
2j14 | 2.8 | 2,006 | GNI | B | 1439 | ec50 | = | 70 | nM | -7.154902 | BindingDB | EC50=70nM | Q03181 | PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR DELTA | O=C([O-])Cc1cccc(-c2noc(-c3ccccc3)c2C(=O)NCCOc2ccc(Cl)cc2Cl)c1 | 510.353 | 4.4166 | 104.49 | 9 | 35 | 1 | 6 | 0.334646 |
2j14 | 2.8 | 2,006 | GNI | A | 1440 | ec50 | = | 70 | nM | -7.154902 | BindingDB | EC50=70nM | Q03181 | PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR DELTA | O=C([O-])Cc1cccc(-c2noc(-c3ccccc3)c2C(=O)NCCOc2ccc(Cl)cc2Cl)c1 | 510.353 | 4.4166 | 104.49 | 9 | 35 | 1 | 6 | 0.334646 |
2j1a | 1.49 | 2,006 | GAL | A | 1768 | kd | = | 980 | uM | -3.008774 | MOAD | Kd=980.0uM | Q0TR53 | HYALURONIDASE | OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O | 180.156 | -3.2214 | 110.38 | 1 | 12 | 5 | 6 | 0.290153 |
2j1e | 2.4 | 2,006 | NDG-GAL | B | 1-2 | kd | = | 0.009009 | M | -2.045323 | MOAD | Ka=111.0M^-1 | Q0TR53 | HYALURONIDASE | CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@@H]1O | 383.35 | -5.2534 | 198.4 | 5 | 26 | 8 | 11 | 0.225556 |
2j27 | 1.15 | 2,007 | PGA | A | 701 | ki | = | 0.3 | mM | -3.522879 | MOAD | Ki=0.3mM | P04789,P04789 | TRIOSEPHOSPHATE ISOMERASE GLYCOSOMAL,TRIOSEPHOSPHATE ISOMERASE GLYCOSOMAL | O=C([O-])COP(=O)([O-])[O-] | 153.006 | -3.4184 | 112.55 | 3 | 9 | 0 | 6 | 0.389879 |
2j27 | 1.15 | 2,007 | PGA | B | 702 | ki | = | 0.3 | mM | -3.522879 | MOAD | Ki=0.3mM | P04789,P04789 | TRIOSEPHOSPHATE ISOMERASE GLYCOSOMAL,TRIOSEPHOSPHATE ISOMERASE GLYCOSOMAL | O=C([O-])COP(=O)([O-])[O-] | 153.006 | -3.4184 | 112.55 | 3 | 9 | 0 | 6 | 0.389879 |
2j2i | 1.9 | 2,007 | LY4 | B | 1307 | ic50 | = | 0.2 | uM | -6.69897 | MOAD | ic50=0.2uM | P11309 | PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1 | C[NH+](C)C[C@@H]1CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCO1 | 469.565 | 2.0966 | 69.7 | 2 | 35 | 2 | 5 | 0.442041 |
2j2u | 1.9 | 2,006 | GSQ | A | 1244 | ki | = | 90 | nM | -7.045757 | MOAD | Ki=90.0nM | P00742,P00742 | COAGULATION FACTOR X HEAVY CHAIN,COAGULATION FACTOR X LIGHT CHAIN | C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)c2cc3cc(Cl)ccc3[nH]2)C1=O | 454.936 | 0.9478 | 111.81 | 5 | 30 | 2 | 5 | 0.698147 |
2j34 | 2.01 | 2,006 | GS6 | A | 1245 | ki | = | 15 | nM | -7.823909 | MOAD | Ki=15.0nM | P00742,P00742 | ACTIVATED FACTOR XA HEAVY CHAIN,FACTOR X LIGHT CHAIN | C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)c2cc3ccc(Cl)cc3s2)C1=O | 471.988 | 1.6812 | 96.02 | 5 | 30 | 1 | 6 | 0.71535 |
2j38 | 2.1 | 2,006 | GS5 | A | 1245 | ki | = | 47 | nM | -7.327902 | MOAD | Ki=47.0nM | P00742,P00742 | ACTIVATED FACTOR XA HEAVY CHAIN,FACTOR X LIGHT CHAIN | C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)c2cc3cc(Cl)ccc3s2)C1=O | 471.988 | 1.6812 | 96.02 | 5 | 30 | 1 | 6 | 0.71535 |
2j47 | 1.98 | 2,006 | GDV | A | 1590 | ki | = | 3.9 | uM | -5.408935 | MOAD | Ki=3.9uM | Q89ZI2 | GLUCOSAMINIDASE | CC(=O)N[C@H]1c2[nH]c(C(=O)Nc3ccccc3)c[n+]2[C@H](CO)[C@@H](O)[C@@H]1O | 361.378 | -0.9995 | 138.56 | 4 | 26 | 6 | 5 | 0.387976 |
2j4a | 2.2 | 2,007 | OEF | A | 1461 | ic50 | = | 0.0251 | nM | -10.600326 | BindingDB | IC50=0.0251nM | P10828 | THYROID HORMONE RECEPTOR BETA-1 | CC(C)c1cc(Oc2c(Br)cc(CCC(=O)[O-])cc2Br)ccc1O | 457.138 | 4.5154 | 69.59 | 6 | 24 | 1 | 4 | 0.693373 |
2j4g | 2.25 | 2,007 | NB1 | A | 1590 | ki | = | 0.25 | uM | -6.60206 | MOAD | Ki=0.25uM | Q89ZI2 | HYALURONOGLUCOSAMINIDASE | CCCC1=N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2S1 | 247.316 | -0.2606 | 82.28 | 3 | 16 | 3 | 6 | 0.639848 |
2j4g | 2.25 | 2,007 | NB1 | B | 1590 | ki | = | 0.25 | uM | -6.60206 | MOAD | Ki=0.25uM | Q89ZI2 | HYALURONOGLUCOSAMINIDASE | CCCC1=N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2S1 | 247.316 | -0.2606 | 82.28 | 3 | 16 | 3 | 6 | 0.639848 |
2j4i | 1.8 | 2,006 | GSJ | A | 1245 | ki | = | 1 | nM | -9 | MOAD | Ki=1.0nM | P00742,P00742 | COAGULATION FACTOR X,COAGULATION FACTOR X | CC(C)N(CCNS(C)(=O)=O)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O | 559.11 | 1.5471 | 132.96 | 10 | 36 | 2 | 6 | 0.454397 |
2j4k | 2.2 | 2,007 | U5P | F | 227 | kd | = | 14 | uM | -4.853872 | MOAD | Kd=14.0uM | Q97ZE2,Q97ZE2,Q97ZE2 | URIDYLATE KINASE,URIDYLATE KINASE,URIDYLATE KINASE | O=c1ccn([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1 | 322.166 | -3.9989 | 176.97 | 4 | 21 | 3 | 10 | 0.465877 |
2j4k | 2.2 | 2,007 | U5P | C | 227 | kd | = | 14 | uM | -4.853872 | MOAD | Kd=14.0uM | Q97ZE2,Q97ZE2,Q97ZE2 | URIDYLATE KINASE,URIDYLATE KINASE,URIDYLATE KINASE | O=c1ccn([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1 | 322.166 | -3.9989 | 176.97 | 4 | 21 | 3 | 10 | 0.465877 |
2j4k | 2.2 | 2,007 | U5P | D | 227 | kd | = | 14 | uM | -4.853872 | MOAD | Kd=14.0uM | Q97ZE2,Q97ZE2 | URIDYLATE KINASE,URIDYLATE KINASE | O=c1ccn([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1 | 322.166 | -3.9989 | 176.97 | 4 | 21 | 3 | 10 | 0.465877 |
2j4k | 2.2 | 2,007 | U5P | A | 227 | kd | = | 14 | uM | -4.853872 | MOAD | Kd=14.0uM | Q97ZE2,Q97ZE2,Q97ZE2 | URIDYLATE KINASE,URIDYLATE KINASE,URIDYLATE KINASE | O=c1ccn([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1 | 322.166 | -3.9989 | 176.97 | 4 | 21 | 3 | 10 | 0.465877 |
2j4k | 2.2 | 2,007 | U5P | B | 227 | kd | = | 14 | uM | -4.853872 | MOAD | Kd=14.0uM | Q97ZE2,Q97ZE2 | URIDYLATE KINASE,URIDYLATE KINASE | O=c1ccn([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1 | 322.166 | -3.9989 | 176.97 | 4 | 21 | 3 | 10 | 0.465877 |
2j4k | 2.2 | 2,007 | U5P | E | 227 | kd | = | 14 | uM | -4.853872 | MOAD | Kd=14.0uM | Q97ZE2,Q97ZE2,Q97ZE2 | URIDYLATE KINASE,URIDYLATE KINASE,URIDYLATE KINASE | O=c1ccn([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1 | 322.166 | -3.9989 | 176.97 | 4 | 21 | 3 | 10 | 0.465877 |
2j4z | 2.0 | 2,006 | 626 | B | 1395 | ic50 | = | 65 | nM | -7.187087 | MOAD | ic50=65.0nM | O14965,O14965 | SERINE THREONINE-PROTEIN KINASE 6,SERINE THREONINE-PROTEIN KINASE 6 | C[NH+]1CCN(c2ccc(C(=O)Nc3n[nH]c4cn(C(=O)Cc5cccs5)cc34)cc2)CC1 | 449.56 | 1.8958 | 87.46 | 5 | 32 | 3 | 6 | 0.434356 |
2j4z | 2.0 | 2,006 | 626 | A | 1389 | ic50 | = | 65 | nM | -7.187087 | MOAD | ic50=65.0nM | O14965 | SERINE THREONINE-PROTEIN KINASE 6 | C[NH+]1CCN(c2ccc(C(=O)Nc3n[nH]c4cn(C(=O)Cc5cccs5)cc34)cc2)CC1 | 449.56 | 1.8958 | 87.46 | 5 | 32 | 3 | 6 | 0.434356 |
2j62 | 2.26 | 2,007 | GSZ | B | 1627 | ki | = | 4.6 | pM | -11.337242 | MOAD | Ki=4.6pM | Q0TR53,Q0TR53 | O-GlcNAcase NagJ,O-GlcNAcase NagJ | CC(C)C(=O)N[C@H]1c2[nH]c(CCc3ccccc3)c[n+]2[C@H](CO)[C@@H](O)[C@@H]1O | 374.461 | 0.1695 | 109.46 | 6 | 27 | 5 | 4 | 0.464441 |
2j62 | 2.26 | 2,007 | GSZ | A | 1626 | ki | = | 4.6 | pM | -11.337242 | MOAD | Ki=4.6pM | Q0TR53,Q0TR53 | O-GlcNAcase NagJ,O-GlcNAcase NagJ | CC(C)C(=O)N[C@H]1c2[nH]c(CCc3ccccc3)c[n+]2[C@H](CO)[C@@H](O)[C@@H]1O | 374.461 | 0.1695 | 109.46 | 6 | 27 | 5 | 4 | 0.464441 |
2j6m | 3.1 | 2,007 | AEE | A | 2021 | kd | = | 5.3 | nM | -8.275724 | BindingDB | Kd=5.3nM,IC50=2nM | P00533 | EPIDERMAL GROWTH FACTOR RECEPTOR | CC[NH+]1CCN(Cc2ccc(-c3cc4c(N[C@H](C)c5ccccc5)ncnc4[nH]3)cc2)CC1 | 441.603 | 3.5184 | 61.28 | 7 | 33 | 3 | 4 | 0.410739 |
2j77 | 2.1 | 2,006 | NOJ | B | 1446 | kd | = | 12.9 | uM | -4.88941 | MOAD | Kd=12.9uM | Q08638 | BETA-GLUCOSIDASE A | OC[C@H]1[NH2+]C[C@H](O)[C@@H](O)[C@@H]1O | 164.181 | -3.993 | 97.53 | 1 | 11 | 5 | 4 | 0.272743 |
2j77 | 2.1 | 2,006 | NOJ | A | 1446 | kd | = | 12.9 | uM | -4.88941 | MOAD | Kd=12.9uM | Q08638 | BETA-GLUCOSIDASE A | OC[C@H]1[NH2+]C[C@H](O)[C@@H](O)[C@@H]1O | 164.181 | -3.993 | 97.53 | 1 | 11 | 5 | 4 | 0.272743 |
2j78 | 1.65 | 2,006 | GOX | B | 1446 | kd | = | 384 | nM | -6.415669 | MOAD | Kd=384.0nM | Q08638 | BETA-GLUCOSIDASE A | OC[C@H]1NC(=NO)[C@H](O)[C@@H](O)[C@@H]1O | 192.171 | -3.1791 | 125.54 | 1 | 13 | 6 | 6 | 0.192058 |
2j78 | 1.65 | 2,006 | GOX | A | 1451 | kd | = | 384 | nM | -6.415669 | MOAD | Kd=384.0nM | Q08638,Q08638 | BETA-GLUCOSIDASE A,BETA-GLUCOSIDASE A | OC[C@H]1NC(=NO)[C@H](O)[C@@H](O)[C@@H]1O | 192.171 | -3.1791 | 125.54 | 1 | 13 | 6 | 6 | 0.192058 |
2j79 | 1.94 | 2,006 | GTL | B | 1446 | kd | = | 1.1 | uM | -5.958607 | MOAD | Kd=1.1uM | Q08638 | BETA-GLUCOSIDASE A | OC[C@H]1NC(=NO)[C@H](O)[C@@H](O)[C@H]1O | 192.171 | -3.1791 | 125.54 | 1 | 13 | 6 | 6 | 0.192058 |
2j79 | 1.94 | 2,006 | GTL | A | 1446 | kd | = | 1.1 | uM | -5.958607 | MOAD | Kd=1.1uM | Q08638 | BETA-GLUCOSIDASE A | OC[C@H]1NC(=NO)[C@H](O)[C@@H](O)[C@H]1O | 192.171 | -3.1791 | 125.54 | 1 | 13 | 6 | 6 | 0.192058 |
2j7b | 1.87 | 2,006 | NTZ | A | 1446 | kd | = | 240 | nM | -6.619789 | MOAD | Kd=240.0nM | Q08638 | BETA-GLUCOSIDASE A | OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2nnnn21 | 202.17 | -3.0247 | 124.52 | 1 | 14 | 4 | 8 | 0.381582 |
2j7b | 1.87 | 2,006 | NTZ | B | 1446 | kd | = | 240 | nM | -6.619789 | MOAD | Kd=240.0nM | Q08638 | BETA-GLUCOSIDASE A | OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2nnnn21 | 202.17 | -3.0247 | 124.52 | 1 | 14 | 4 | 8 | 0.381582 |
2j7c | 2.09 | 2,006 | IDE | A | 1446 | ki | = | 10.7 | nM | -7.970616 | MOAD | Ki=10.7nM | Q08638 | BETA-GLUCOSIDASE A | OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2nc(CNc3ccccc3)cn21 | 305.334 | -0.2026 | 110.77 | 4 | 22 | 5 | 7 | 0.534786 |
2j7c | 2.09 | 2,006 | IDE | B | 1446 | ki | = | 10.7 | nM | -7.970616 | MOAD | Ki=10.7nM | Q08638 | BETA-GLUCOSIDASE A | OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2nc(CNc3ccccc3)cn21 | 305.334 | -0.2026 | 110.77 | 4 | 22 | 5 | 7 | 0.534786 |
2j7d | 2.24 | 2,006 | GI1 | A | 1446 | kd | = | 74 | nM | -7.130768 | MOAD | Kd=74.0nM | Q08638 | BETA-GLUCOSIDASE A | CO[C@H](O)c1c[n+]2c([nH]1)[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO | 261.254 | -2.7583 | 130.05 | 3 | 18 | 6 | 6 | 0.258137 |
2j7d | 2.24 | 2,006 | GI1 | B | 1446 | kd | = | 74 | nM | -7.130768 | MOAD | Kd=74.0nM | Q08638 | BETA-GLUCOSIDASE A | CO[C@H](O)c1c[n+]2c([nH]1)[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO | 261.254 | -2.7583 | 130.05 | 3 | 18 | 6 | 6 | 0.258137 |
2j7e | 2.19 | 2,006 | GI2 | A | 1446 | kd | = | 48 | nM | -7.318759 | MOAD | Kd=48.0nM | Q08638 | BETA-GLUCOSIDASE A | COC(=O)Cc1c[n+]2c([nH]1)[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO | 273.265 | -2.6801 | 126.89 | 3 | 19 | 5 | 6 | 0.301601 |
2j7e | 2.19 | 2,006 | GI2 | B | 1446 | kd | = | 48 | nM | -7.318759 | MOAD | Kd=48.0nM | Q08638 | BETA-GLUCOSIDASE A | COC(=O)Cc1c[n+]2c([nH]1)[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO | 273.265 | -2.6801 | 126.89 | 3 | 19 | 5 | 6 | 0.301601 |
2j7f | 2.28 | 2,006 | GI3 | B | 1446 | kd | = | 445 | nM | -6.35164 | MOAD | Kd=445.0nM | Q08638 | BETA-GLUCOSIDASE A | O=C([O-])c1c[n+]2c([nH]1)[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO | 244.203 | -4.0321 | 140.72 | 2 | 17 | 5 | 6 | 0.335387 |
2j7f | 2.28 | 2,006 | GI3 | A | 1446 | kd | = | 445 | nM | -6.35164 | MOAD | Kd=445.0nM | Q08638 | BETA-GLUCOSIDASE A | O=C([O-])c1c[n+]2c([nH]1)[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO | 244.203 | -4.0321 | 140.72 | 2 | 17 | 5 | 6 | 0.335387 |
2j7g | 1.91 | 2,006 | GI4 | A | 1446 | kd | = | 100 | nM | -7 | MOAD | Kd=100.0nM | Q08638 | BETA-GLUCOSIDASE A | O=C([O-])Cc1c[n+]2c([nH]1)[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO | 258.23 | -4.1032 | 140.72 | 3 | 18 | 5 | 6 | 0.348896 |
2j7g | 1.91 | 2,006 | GI4 | B | 1446 | kd | = | 100 | nM | -7 | MOAD | Kd=100.0nM | Q08638 | BETA-GLUCOSIDASE A | O=C([O-])Cc1c[n+]2c([nH]1)[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO | 258.23 | -4.1032 | 140.72 | 3 | 18 | 5 | 6 | 0.348896 |
2j7h | 1.95 | 2,006 | AZF | B | 1445 | kd | = | 65 | nM | -7.187087 | MOAD | Kd=65.0nM | Q08638 | BETA-GLUCOSIDASE A | OC[C@H]1[NH2+]NC[C@@H](O)[C@@H]1O | 149.17 | -3.8493 | 89.33 | 1 | 10 | 5 | 4 | 0.246916 |
2j7h | 1.95 | 2,006 | AZF | A | 1446 | kd | = | 65 | nM | -7.187087 | MOAD | Kd=65.0nM | Q08638 | BETA-GLUCOSIDASE A | OC[C@H]1[NH2+]NC[C@@H](O)[C@@H]1O | 149.17 | -3.8493 | 89.33 | 1 | 10 | 5 | 4 | 0.246916 |
2j7m | 2.3 | 2,006 | NDG-FUC | B | 1-3 | kd | = | 0.000833 | M | -3.079181 | MOAD | Ka=1200.0M^-1 | Q0TR53 | HYALURONIDASE | CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@@H]1O | 529.492 | -6.4016 | 257.32 | 7 | 36 | 10 | 15 | 0.147036 |
2j7x | 2.1 | 2,006 | EST | A | 1454 | ic50 | = | 1.7 | nM | -8.769551 | BindingDB | EC50=0.14nM,IC50=1.7nM | Q62986 | ESTROGEN RECEPTOR BETA | C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O | 272.388 | 3.6092 | 40.46 | 0 | 20 | 2 | 2 | 0.75717 |
2j83 | 2.0 | 2,006 | BAT | A | 996 | ic50 | = | 61 | uM | -4.21467 | MOAD | ic50=61.0uM | Q8TL28,Q8TL28 | ULILYSIN,ULILYSIN | CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO | 477.652 | 3.0976 | 107.53 | 12 | 32 | 4 | 6 | 0.213479 |
2j83 | 2.0 | 2,006 | BAT | B | 996 | ic50 | = | 61 | uM | -4.21467 | MOAD | ic50=61.0uM | Q8TL28,Q8TL28 | ULILYSIN,ULILYSIN | CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO | 477.652 | 3.0976 | 107.53 | 12 | 32 | 4 | 6 | 0.213479 |
2j94 | 2.1 | 2,007 | G15 | A | 1245 | ki | = | 534 | nM | -6.272459 | MOAD | Ki=534.0nM | P00742,P00742 | COAGULATION FACTOR X,COAGULATION FACTOR X | C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)c2n[nH]c(-c3ccc(Cl)s3)n2)C1=O | 488.979 | 0.3131 | 137.59 | 6 | 31 | 2 | 8 | 0.59649 |
2j95 | 2.01 | 2,007 | GSX | A | 1245 | ki | = | 4 | nM | -8.39794 | MOAD | Ki=4.0nM | P00742,P00742 | ACTIVATED FACTOR XA HEAVY CHAIN,ACTIVATED FACTOR XA LIGHT CHAIN | C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)c2ccc(-c3ccc(Cl)s3)s2)C1=O | 504.055 | 2.2565 | 96.02 | 6 | 31 | 1 | 7 | 0.651946 |
2j9a | 1.73 | 2,006 | ALA-AHY | D | 2-1 | ic50 | = | 1.3 | uM | -5.886057 | MOAD | ic50=1.3uM | P00727 | CYTOSOL AMINOPEPTIDASE | CCCCCCC[C@@H]([NH3+])[C@H](O)C(=O)N[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] | 727.9 | 0.3122 | 236.07 | 22 | 52 | 7 | 9 | 0.082599 |
2j9h | 2.4 | 2,006 | GTX | B | 300 | ki | = | 410 | uM | -3.387216 | MOAD | Ki=410.0uM | P09211,P09211 | GLUTATHIONE S-TRANSFERASE P,GLUTATHIONE S-TRANSFERASE P | CCCCCCSC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-] | 390.482 | -3.2086 | 166.1 | 15 | 26 | 3 | 7 | 0.247424 |
2j9h | 2.4 | 2,006 | GTX | A | 300 | ki | = | 410 | uM | -3.387216 | MOAD | Ki=410.0uM | P09211,P09211 | GLUTATHIONE S-TRANSFERASE P,GLUTATHIONE S-TRANSFERASE P | CCCCCCSC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-] | 390.482 | -3.2086 | 166.1 | 15 | 26 | 3 | 7 | 0.247424 |
2j9l | 2.3 | 2,007 | ATP | F | 1750 | kd | = | 90 | uM | -4.045757 | MOAD | Kd=90.0uM | P51795,P51795 | CHLORIDE CHANNEL PROTEIN 5,CHLORIDE CHANNEL PROTEIN 5 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O[P@@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O | 503.15 | -4.157 | 290.45 | 8 | 31 | 3 | 18 | 0.28788 |
2j9l | 2.3 | 2,007 | ATP | E | 1752 | kd | = | 90 | uM | -4.045757 | MOAD | Kd=90.0uM | P51795,P51795 | CHLORIDE CHANNEL PROTEIN 5,CHLORIDE CHANNEL PROTEIN 5 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O[P@@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O | 503.15 | -4.157 | 290.45 | 8 | 31 | 3 | 18 | 0.28788 |
2j9l | 2.3 | 2,007 | ATP | C | 1755 | kd | = | 90 | uM | -4.045757 | MOAD | Kd=90.0uM | P51795,P51795 | CHLORIDE CHANNEL PROTEIN 5,CHLORIDE CHANNEL PROTEIN 5 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O[P@@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O | 503.15 | -4.157 | 290.45 | 8 | 31 | 3 | 18 | 0.28788 |
2j9l | 2.3 | 2,007 | ATP | B | 1754 | kd | = | 90 | uM | -4.045757 | MOAD | Kd=90.0uM | P51795 | CHLORIDE CHANNEL PROTEIN 5 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O[P@@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O | 503.15 | -4.157 | 290.45 | 8 | 31 | 3 | 18 | 0.28788 |
2j9l | 2.3 | 2,007 | ATP | A | 1752 | kd | = | 90 | uM | -4.045757 | MOAD | Kd=90.0uM | P51795,P51795 | CHLORIDE CHANNEL PROTEIN 5,CHLORIDE CHANNEL PROTEIN 5 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O[P@@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O | 503.15 | -4.157 | 290.45 | 8 | 31 | 3 | 18 | 0.28788 |
2j9l | 2.3 | 2,007 | ATP | D | 1753 | kd | = | 90 | uM | -4.045757 | MOAD | Kd=90.0uM | P51795,P51795 | CHLORIDE CHANNEL PROTEIN 5,CHLORIDE CHANNEL PROTEIN 5 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O[P@@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O | 503.15 | -4.157 | 290.45 | 8 | 31 | 3 | 18 | 0.28788 |
2jaj | 2.0 | 2,007 | D20 | A | 500 | ic50 | < | 25 | uM | -4.60206 | MOAD | ic50<25.0uM | O94760 | NG, NG-DIMETHYLARGININE DIMETHYLAMINOHYDROLASE 1 | COCCNC(=[NH2+])NCCC[C@H]([NH3+])C(=O)[O-] | 233.292 | -4.9323 | 126.65 | 8 | 16 | 4 | 3 | 0.189725 |
2jaj | 2.0 | 2,007 | D20 | B | 500 | ic50 | < | 25 | uM | -4.60206 | MOAD | ic50<25.0uM | O94760 | NG, NG-DIMETHYLARGININE DIMETHYLAMINOHYDROLASE 1 | COCCNC(=[NH2+])NCCC[C@H]([NH3+])C(=O)[O-] | 233.292 | -4.9323 | 126.65 | 8 | 16 | 4 | 3 | 0.189725 |
2jav | 2.2 | 2,006 | 5Z5 | A | 1280 | ic50 | ~ | 8 | uM | -5.09691 | MOAD | ic50~8.0uM | P51955 | SERINE/THREONINE-PROTEIN KINASE NEK2 | CNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(Cl)cc32)c1C | 329.787 | 3.13724 | 73.99 | 2 | 23 | 3 | 2 | 0.740439 |
2jbj | 2.19 | 2,006 | G88 | A | 1768 | ki | = | 0.2 | nM | -9.69897 | MOAD | Ki=0.2nM | Q04609 | GLUTAMATE CARBOXYPEPTIDASE 2 | O=C([O-])CC[C@H](CP(=O)([O-])[O-])C(=O)[O-] | 222.089 | -4.2037 | 143.45 | 6 | 14 | 0 | 7 | 0.413967 |
2jbo | 3.1 | 2,007 | P4O | A | 1348 | ic50 | = | 8.5 | nM | -8.070581 | BindingDB | IC50=8.5nM,EC50=49nM | P49137 | MAP KINASE-ACTIVATED PROTEIN KINASE 2 | O=C1NCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21 | 340.386 | 3.5778 | 70.67 | 2 | 26 | 2 | 3 | 0.585844 |
2jbp | 3.31 | 2,007 | P4O | E | 1345 | ic50 | = | 8.5 | nM | -8.070581 | BindingDB | IC50=8.5nM,EC50=49nM | P49137 | MAP KINASE-ACTIVATED PROTEIN KINASE 2 | O=C1NCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21 | 340.386 | 3.5778 | 70.67 | 2 | 26 | 2 | 3 | 0.585844 |
2jbp | 3.31 | 2,007 | P4O | L | 1345 | ic50 | = | 8.5 | nM | -8.070581 | BindingDB | IC50=8.5nM,EC50=49nM | P49137 | MAP KINASE-ACTIVATED PROTEIN KINASE 2 | O=C1NCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21 | 340.386 | 3.5778 | 70.67 | 2 | 26 | 2 | 3 | 0.585844 |
2jbp | 3.31 | 2,007 | P4O | K | 1345 | ic50 | = | 8.5 | nM | -8.070581 | BindingDB | IC50=8.5nM,EC50=49nM | P49137 | MAP KINASE-ACTIVATED PROTEIN KINASE 2 | O=C1NCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21 | 340.386 | 3.5778 | 70.67 | 2 | 26 | 2 | 3 | 0.585844 |
2jbp | 3.31 | 2,007 | P4O | I | 1351 | ic50 | = | 8.5 | nM | -8.070581 | BindingDB | IC50=8.5nM,EC50=49nM | P49137 | MAP KINASE-ACTIVATED PROTEIN KINASE 2 | O=C1NCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21 | 340.386 | 3.5778 | 70.67 | 2 | 26 | 2 | 3 | 0.585844 |
2jbp | 3.31 | 2,007 | P4O | H | 1347 | ic50 | = | 8.5 | nM | -8.070581 | BindingDB | IC50=8.5nM,EC50=49nM | P49137 | MAP KINASE-ACTIVATED PROTEIN KINASE 2 | O=C1NCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21 | 340.386 | 3.5778 | 70.67 | 2 | 26 | 2 | 3 | 0.585844 |
2jbp | 3.31 | 2,007 | P4O | B | 1351 | ic50 | = | 8.5 | nM | -8.070581 | BindingDB | IC50=8.5nM,EC50=49nM | P49137 | MAP KINASE-ACTIVATED PROTEIN KINASE 2 | O=C1NCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21 | 340.386 | 3.5778 | 70.67 | 2 | 26 | 2 | 3 | 0.585844 |
2jbp | 3.31 | 2,007 | P4O | F | 1350 | ic50 | = | 8.5 | nM | -8.070581 | BindingDB | IC50=8.5nM,EC50=49nM | P49137 | MAP KINASE-ACTIVATED PROTEIN KINASE 2 | O=C1NCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21 | 340.386 | 3.5778 | 70.67 | 2 | 26 | 2 | 3 | 0.585844 |
2jbp | 3.31 | 2,007 | P4O | D | 1351 | ic50 | = | 8.5 | nM | -8.070581 | BindingDB | IC50=8.5nM,EC50=49nM | P49137 | MAP KINASE-ACTIVATED PROTEIN KINASE 2 | O=C1NCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21 | 340.386 | 3.5778 | 70.67 | 2 | 26 | 2 | 3 | 0.585844 |
2jbp | 3.31 | 2,007 | P4O | C | 1351 | ic50 | = | 8.5 | nM | -8.070581 | BindingDB | IC50=8.5nM,EC50=49nM | P49137 | MAP KINASE-ACTIVATED PROTEIN KINASE 2 | O=C1NCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21 | 340.386 | 3.5778 | 70.67 | 2 | 26 | 2 | 3 | 0.585844 |
2jbp | 3.31 | 2,007 | P4O | A | 1351 | ic50 | = | 8.5 | nM | -8.070581 | BindingDB | IC50=8.5nM,EC50=49nM | P49137 | MAP KINASE-ACTIVATED PROTEIN KINASE 2 | O=C1NCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21 | 340.386 | 3.5778 | 70.67 | 2 | 26 | 2 | 3 | 0.585844 |
2jbp | 3.31 | 2,007 | P4O | G | 1350 | ic50 | = | 8.5 | nM | -8.070581 | BindingDB | IC50=8.5nM,EC50=49nM | P49137 | MAP KINASE-ACTIVATED PROTEIN KINASE 2 | O=C1NCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21 | 340.386 | 3.5778 | 70.67 | 2 | 26 | 2 | 3 | 0.585844 |
2jbz | 1.62 | 2,007 | COA | A | 1126 | kd | = | 0.38 | uM | -6.420216 | MOAD | Kd=0.38uM | O86785 | HOLO-[ACYL-CARRIER-PROTEIN] SYNTHASE | CC(C)(CO[P@](=O)([O-])O[P@@](=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCS | 763.509 | -4.1933 | 357.88 | 18 | 48 | 6 | 22 | 0.061896 |
2jc0 | 2.2 | 2,007 | 699 | A | 1564 | ic50 | = | 20 | uM | -4.69897 | MOAD | ic50=20.0uM | P26663 | RNA-DEPENDENT RNA-POLYMERASE | CC(C)C[C@@]1(C(=O)[O-])C[C@H](C(=O)[O-])[C@H](c2cccs2)N1C(=O)c1ccc(C(F)(F)F)cc1 | 467.465 | 2.255 | 100.57 | 6 | 32 | 0 | 6 | 0.64886 |
2jc0 | 2.2 | 2,007 | 699 | A | 1563 | ic50 | = | 20 | uM | -4.69897 | MOAD | ic50=20.0uM | P26663 | RNA-DEPENDENT RNA-POLYMERASE | CC(C)C[C@@]1(C(=O)[O-])C[C@H](C(=O)[O-])[C@H](c2cccs2)N1C(=O)c1ccc(C(F)(F)F)cc1 | 467.465 | 2.255 | 100.57 | 6 | 32 | 0 | 6 | 0.64886 |
2jc0 | 2.2 | 2,007 | 699 | B | 1564 | ic50 | = | 20 | uM | -4.69897 | MOAD | ic50=20.0uM | P26663 | RNA-DEPENDENT RNA-POLYMERASE | CC(C)C[C@@]1(C(=O)[O-])C[C@H](C(=O)[O-])[C@H](c2cccs2)N1C(=O)c1ccc(C(F)(F)F)cc1 | 467.465 | 2.255 | 100.57 | 6 | 32 | 0 | 6 | 0.64886 |
2jc0 | 2.2 | 2,007 | 699 | B | 1565 | ic50 | = | 20 | uM | -4.69897 | MOAD | ic50=20.0uM | P26663 | RNA-DEPENDENT RNA-POLYMERASE | CC(C)C[C@@]1(C(=O)[O-])C[C@H](C(=O)[O-])[C@H](c2cccs2)N1C(=O)c1ccc(C(F)(F)F)cc1 | 467.465 | 2.255 | 100.57 | 6 | 32 | 0 | 6 | 0.64886 |
2jc1 | 2.0 | 2,007 | 698 | B | 600 | ic50 | = | 3.8 | uM | -5.420216 | MOAD | ic50=3.8uM | P26663 | RNA-DEPENDENT RNA-POLYMERASE | CC(C)C[C@@]1(C(=O)[O-])C[C@H](C(=O)[O-])[C@H](c2nccs2)N1C(=O)c1ccc(C(C)(C)C)cc1 | 456.564 | 1.9287 | 113.46 | 6 | 32 | 0 | 7 | 0.656245 |
2jc1 | 2.0 | 2,007 | 698 | A | 600 | ic50 | = | 3.8 | uM | -5.420216 | MOAD | ic50=3.8uM | P26663 | RNA-DEPENDENT RNA-POLYMERASE | CC(C)C[C@@]1(C(=O)[O-])C[C@H](C(=O)[O-])[C@H](c2nccs2)N1C(=O)c1ccc(C(C)(C)C)cc1 | 456.564 | 1.9287 | 113.46 | 6 | 32 | 0 | 7 | 0.656245 |
2jcv | 2.2 | 2,007 | FOM | A | 1390 | ic50 | = | 80 | nM | -7.09691 | MOAD | ic50=80.0nM | P9WNS1 | 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE | O=CN(O)CCCP(=O)([O-])[O-] | 181.084 | -1.8622 | 103.73 | 5 | 11 | 1 | 5 | 0.231543 |
2jcx | 2.1 | 2,007 | FOM | A | 1390 | ic50 | = | 80 | nM | -7.09691 | MOAD | ic50=80.0nM | P9WNS1 | 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE | O=CN(O)CCCP(=O)([O-])[O-] | 181.084 | -1.8622 | 103.73 | 5 | 11 | 1 | 5 | 0.231543 |
2jdc | 1.6 | 2,007 | CAO | A | 1147 | ki | = | 9 | uM | -5.045757 | MOAD | Ki=9.0uM | Q65LG7 | GLYPHOSATE N-ACETYLTRANSFERASE | CC(C)(CO[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSO | 779.508 | -3.9169 | 378.11 | 19 | 49 | 6 | 23 | 0.045035 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.