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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1w0z | 1.9 | 2,008 | SI1 | U | 1245 | ki | = | 21 | nM | -7.677781 | MOAD | Ki=21.0nM | P00749 | UROKINASE-TYPE PLASMINOGEN ACTIVATOR | CCCCS(=O)(=O)N[C@H](CO)C(=O)N[C@@H](C)C(=O)NCc1ccc(C(N)=[NH2+])cc1 | 428.535 | -2.6477 | 176.21 | 12 | 29 | 6 | 5 | 0.156451 |
1w11 | 2.0 | 2,008 | SK1 | U | 1247 | ki | = | 6 | nM | -8.221849 | MOAD | Ki=6.0nM | P00749 | UROKINASE-TYPE PLASMINOGEN ACTIVATOR | C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(C(N)=[NH2+])cc1 | 462.552 | -2.2476 | 176.21 | 11 | 32 | 6 | 5 | 0.162336 |
1w13 | 2.0 | 2,008 | SM1 | U | 1245 | ki | = | 2 | nM | -8.69897 | MOAD | Ki=2.0nM | P00749 | UROKINASE-TYPE PLASMINOGEN ACTIVATOR | C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(NC(N)=[NH2+])cc1 | 477.567 | -2.2263 | 188.24 | 11 | 33 | 7 | 5 | 0.14081 |
1w1d | 1.5 | 2,004 | 4IP | A | 1552 | ki | = | 0.3 | uM | -6.522879 | MOAD | Ki=0.3uM | O15530 | 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1 | O=P([O-])([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O | 492.008 | -8.4226 | 330.14 | 8 | 28 | 2 | 18 | 0.296895 |
1w1p | 2.1 | 2,005 | GIO | A | 1518 | ic50 | = | 5 | mM | -2.30103 | MOAD | ic50=5.0mM | Q54276 | CHITINASE B | O=C1NCC(=O)N2CCC[C@@H]12 | 154.169 | -0.8928 | 49.41 | 0 | 11 | 1 | 2 | 0.49165 |
1w1p | 2.1 | 2,005 | GIO | B | 1501 | ic50 | = | 5 | mM | -2.30103 | MOAD | ic50=5.0mM | Q54276 | CHITINASE B | O=C1NCC(=O)N2CCC[C@@H]12 | 154.169 | -0.8928 | 49.41 | 0 | 11 | 1 | 2 | 0.49165 |
1w1t | 1.9 | 2,005 | CHQ | A | 1513 | ic50 | = | 1.1 | mM | -2.958607 | MOAD | ic50=1.1mM | Q54276 | CHITINASE B | O=C1N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@@H]12 | 234.259 | -0.5584 | 78.09 | 2 | 17 | 2 | 3 | 0.719815 |
1w1t | 1.9 | 2,005 | CHQ | A | 1514 | ic50 | = | 1.1 | mM | -2.958607 | MOAD | ic50=1.1mM | Q54276,Q54276 | CHITINASE B,CHITINASE B | O=C1N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@@H]12 | 234.259 | -0.5584 | 78.09 | 2 | 17 | 2 | 3 | 0.719815 |
1w1t | 1.9 | 2,005 | CHQ | B | 1512 | ic50 | = | 1.1 | mM | -2.958607 | MOAD | ic50=1.1mM | Q54276 | CHITINASE B | O=C1N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@@H]12 | 234.259 | -0.5584 | 78.09 | 2 | 17 | 2 | 3 | 0.719815 |
1w1v | 1.85 | 2,005 | ALJ | A | 1520 | ic50 | = | 6.3 | mM | -2.200659 | MOAD | ic50=6.3mM | Q54276 | CHITINASE B | NC(N)=[NH+]CCC[C@@H]1NC(=O)[C@@H]2CCCN2C1=O | 254.314 | -3.39 | 115.42 | 4 | 18 | 4 | 2 | 0.237762 |
1w1v | 1.85 | 2,005 | ALJ | B | 1513 | ic50 | = | 6.3 | mM | -2.200659 | MOAD | ic50=6.3mM | Q54276 | CHITINASE B | NC(N)=[NH+]CCC[C@@H]1NC(=O)[C@@H]2CCCN2C1=O | 254.314 | -3.39 | 115.42 | 4 | 18 | 4 | 2 | 0.237762 |
1w1y | 1.85 | 2,005 | TYP | B | 1506 | ic50 | = | 2.4 | mM | -2.619789 | MOAD | ic50=2.4mM | Q54276 | CHITINASE B | O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]12 | 260.293 | 0.4241 | 69.64 | 2 | 19 | 2 | 3 | 0.809588 |
1w1y | 1.85 | 2,005 | TYP | B | 1509 | ic50 | = | 2.4 | mM | -2.619789 | MOAD | ic50=2.4mM | Q54276 | CHITINASE B | O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]12 | 260.293 | 0.4241 | 69.64 | 2 | 19 | 2 | 3 | 0.809588 |
1w1y | 1.85 | 2,005 | TYP | B | 1507 | ic50 | = | 2.4 | mM | -2.619789 | MOAD | ic50=2.4mM | Q54276 | CHITINASE B | O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]12 | 260.293 | 0.4241 | 69.64 | 2 | 19 | 2 | 3 | 0.809588 |
1w1y | 1.85 | 2,005 | TYP | A | 1509 | ic50 | = | 2.4 | mM | -2.619789 | MOAD | ic50=2.4mM | Q54276,Q54276 | CHITINASE B,CHITINASE B | O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]12 | 260.293 | 0.4241 | 69.64 | 2 | 19 | 2 | 3 | 0.809588 |
1w1y | 1.85 | 2,005 | TYP | A | 1508 | ic50 | = | 2.4 | mM | -2.619789 | MOAD | ic50=2.4mM | Q54276 | CHITINASE B | O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]12 | 260.293 | 0.4241 | 69.64 | 2 | 19 | 2 | 3 | 0.809588 |
1w1y | 1.85 | 2,005 | TYP | A | 1507 | ic50 | = | 2.4 | mM | -2.619789 | MOAD | ic50=2.4mM | Q54276 | CHITINASE B | O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]12 | 260.293 | 0.4241 | 69.64 | 2 | 19 | 2 | 3 | 0.809588 |
1w1y | 1.85 | 2,005 | TYP | B | 1508 | ic50 | = | 2.4 | mM | -2.619789 | MOAD | ic50=2.4mM | Q54276,Q54276 | CHITINASE B,CHITINASE B | O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]12 | 260.293 | 0.4241 | 69.64 | 2 | 19 | 2 | 3 | 0.809588 |
1w22 | 2.5 | 2,004 | NHB | A | 1378 | ic50 | = | 175.5 | nM | -6.755723 | MOAD | ic50=175.5nM | Q9BY41,Q9BY41 | HISTONE DEACETYLASE 8,HISTONE DEACETYLASE 8 | CN(c1ccc(C(=O)NO)cc1)S(=O)(=O)c1ccc(-c2ccccn2)s1 | 389.458 | 2.7542 | 99.6 | 5 | 26 | 2 | 6 | 0.516282 |
1w22 | 2.5 | 2,004 | NHB | B | 1378 | ic50 | = | 175.5 | nM | -6.755723 | MOAD | ic50=175.5nM | Q9BY41,Q9BY41 | HISTONE DEACETYLASE 8,HISTONE DEACETYLASE 8 | CN(c1ccc(C(=O)NO)cc1)S(=O)(=O)c1ccc(-c2ccccn2)s1 | 389.458 | 2.7542 | 99.6 | 5 | 26 | 2 | 6 | 0.516282 |
1w25 | 2.7 | 2,004 | C2E | A | 503 | ki | = | 0.5 | uM | -6.30103 | BioLiP | Ki=0.5uM (15569936) | B8GZM2 | STALKED-CELL DIFFERENTIATION CONTROLLING PROTEIN | Nc1nc2c(ncn2[C@@H]2O[C@@H]3CO[P@@](=O)([O-])O[C@H]4[C@@H](O)[C@H](n5cnc6c(=O)[nH]c(N)nc65)O[C@@H]4CO[P@@](=O)([O-])O[C@H]3[C@H]2O)c(=O)[nH]1 | 688.4 | -4.3122 | 355.28 | 2 | 46 | 6 | 22 | 0.10841 |
1w25 | 2.7 | 2,004 | C2E | B | 503 | ki | = | 0.5 | uM | -6.30103 | BioLiP | Ki=0.5uM (15569936) | B8GZM2 | STALKED-CELL DIFFERENTIATION CONTROLLING PROTEIN | Nc1nc2c(ncn2[C@@H]2O[C@@H]3CO[P@@](=O)([O-])O[C@H]4[C@@H](O)[C@H](n5cnc6c(=O)[nH]c(N)nc65)O[C@@H]4CO[P@@](=O)([O-])O[C@H]3[C@H]2O)c(=O)[nH]1 | 688.4 | -4.3122 | 355.28 | 2 | 46 | 6 | 22 | 0.10841 |
1w25 | 2.7 | 2,004 | C2E | A | 505 | ki | = | 0.5 | uM | -6.30103 | BioLiP | Ki=0.5uM (15569936) | B8GZM2 | STALKED-CELL DIFFERENTIATION CONTROLLING PROTEIN | Nc1nc2c(ncn2[C@@H]2O[C@@H]3CO[P@@](=O)([O-])O[C@H]4[C@@H](O)[C@H](n5cnc6c(=O)[nH]c(N)nc65)O[C@@H]4CO[P@@](=O)([O-])O[C@H]3[C@H]2O)c(=O)[nH]1 | 688.4 | -4.3122 | 355.28 | 2 | 46 | 6 | 22 | 0.10841 |
1w25 | 2.7 | 2,004 | C2E | B | 505 | ki | = | 0.5 | uM | -6.30103 | BioLiP | Ki=0.5uM (15569936) | B8GZM2 | STALKED-CELL DIFFERENTIATION CONTROLLING PROTEIN | Nc1nc2c(ncn2[C@@H]2O[C@@H]3CO[P@@](=O)([O-])O[C@H]4[C@@H](O)[C@H](n5cnc6c(=O)[nH]c(N)nc65)O[C@@H]4CO[P@@](=O)([O-])O[C@H]3[C@H]2O)c(=O)[nH]1 | 688.4 | -4.3122 | 355.28 | 2 | 46 | 6 | 22 | 0.10841 |
1w25 | 2.7 | 2,004 | C2E | A | 501 | ki | = | 0.5 | uM | -6.30103 | BioLiP | Ki=0.5uM (15569936) | B8GZM2,B8GZM2 | STALKED-CELL DIFFERENTIATION CONTROLLING PROTEIN,STALKED-CELL DIFFERENTIATION CONTROLLING PROTEIN | Nc1nc2c(ncn2[C@@H]2O[C@@H]3CO[P@@](=O)([O-])O[C@H]4[C@@H](O)[C@H](n5cnc6c(=O)[nH]c(N)nc65)O[C@@H]4CO[P@@](=O)([O-])O[C@H]3[C@H]2O)c(=O)[nH]1 | 688.4 | -4.3122 | 355.28 | 2 | 46 | 6 | 22 | 0.10841 |
1w2g | 2.1 | 2,005 | THM | B | 1210 | ki | = | 27 | uM | -4.568636 | MOAD | Ki=27.0uM | P9WKE1 | THYMIDYLATE KINASE TMK | Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O | 242.231 | -1.51428 | 104.55 | 2 | 17 | 3 | 6 | 0.584274 |
1w2g | 2.1 | 2,005 | THM | A | 1210 | ki | = | 27 | uM | -4.568636 | MOAD | Ki=27.0uM | P9WKE1 | THYMIDYLATE KINASE TMK | Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O | 242.231 | -1.51428 | 104.55 | 2 | 17 | 3 | 6 | 0.584274 |
1w2k | 3.0 | 2,005 | 380 | H | 1258 | ki | = | 350 | nM | -6.455932 | BindingDB | Ki=350nM | P08709,P08709 | BLOOD COAGULATION FACTOR VIIA,BLOOD COAGULATION FACTOR VIIA | COc1ccc([C@@H](Nc2ccc(C(N)=[NH2+])cc2)C(=O)NCc2ccccc2)cc1OC | 419.505 | 1.6378 | 111.2 | 9 | 31 | 4 | 4 | 0.311256 |
1w3j | 2.0 | 2,004 | OXZ | A | 1447 | kd | = | 484 | nM | -6.315155 | MOAD | Kd=484.0nM | Q08638 | BETA-GLUCOSIDASE | OC[C@H]1ONC[C@@H](O)[C@@H]1O | 149.146 | -2.3961 | 81.95 | 1 | 10 | 4 | 5 | 0.334066 |
1w3j | 2.0 | 2,004 | OXZ | B | 1445 | kd | = | 484 | nM | -6.315155 | MOAD | Kd=484.0nM | Q08638 | BETA-GLUCOSIDASE | OC[C@H]1ONC[C@@H](O)[C@@H]1O | 149.146 | -2.3961 | 81.95 | 1 | 10 | 4 | 5 | 0.334066 |
1w4l | 2.16 | 2,004 | GL8 | A | 1540 | ic50 | = | 4 | nM | -8.39794 | MOAD | ic50=4.0nM | P04058 | ACETYLCHOLINESTERASE | COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N+](CCCCCCCCN1C(=O)c3ccccc3C1=O)=C2 | 529.657 | 4.4867 | 79.08 | 10 | 39 | 1 | 5 | 0.212453 |
1w4o | 1.6 | 2,005 | UA3 | A | 1125 | ki | = | 3 | uM | -5.522879 | MOAD | Ki=3.0uM | P61823 | PANCREATIC RIBONUCLEASE A | O=c1ccn([C@@H]2O[C@H](CO)[C@@H](OP(=O)([O-])[O-])[C@@H]2O)c(=O)[nH]1 | 322.166 | -3.9989 | 176.97 | 4 | 21 | 3 | 10 | 0.465877 |
1w4p | 1.69 | 2,005 | UM3 | A | 1125 | ki | = | 18 | uM | -4.744727 | MOAD | Ki=18.0uM | P61823 | PANCREATIC RIBONUCLEASE A | O=c1ccn([C@H]2C[C@H](OP(=O)([O-])[O-])[C@@H](CO)O2)c(=O)[nH]1 | 306.167 | -2.9697 | 156.74 | 4 | 20 | 2 | 9 | 0.558115 |
1w4p | 1.69 | 2,005 | UM3 | B | 1125 | ki | = | 18 | uM | -4.744727 | MOAD | Ki=18.0uM | P61823 | PANCREATIC RIBONUCLEASE A | O=c1ccn([C@H]2C[C@H](OP(=O)([O-])[O-])[C@@H](CO)O2)c(=O)[nH]1 | 306.167 | -2.9697 | 156.74 | 4 | 20 | 2 | 9 | 0.558115 |
1w4q | 1.68 | 2,005 | UMF | B | 1125 | ki | = | 5.5 | uM | -5.259637 | MOAD | Ki=5.5uM | P61823 | PANCREATIC RIBONUCLEASE A | O=c1ccn([C@@H]2O[C@H](CO)[C@@H](OP(=O)([O-])[O-])[C@H]2F)c(=O)[nH]1 | 324.157 | -3.0217 | 156.74 | 4 | 21 | 2 | 9 | 0.553967 |
1w4q | 1.68 | 2,005 | UMF | A | 1125 | ki | = | 5.5 | uM | -5.259637 | MOAD | Ki=5.5uM | P61823 | PANCREATIC RIBONUCLEASE A | O=c1ccn([C@@H]2O[C@H](CO)[C@@H](OP(=O)([O-])[O-])[C@H]2F)c(=O)[nH]1 | 324.157 | -3.0217 | 156.74 | 4 | 21 | 2 | 9 | 0.553967 |
1w51 | 2.55 | 2,004 | L01 | A | 1506 | ic50 | = | 500 | nM | -6.30103 | BindingDB | IC50=500nM | P56817 | BETA-SECRETASE 1 | CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(OC)c2)c1 | 532.705 | 3.423 | 95.48 | 15 | 39 | 3 | 4 | 0.279563 |
1w5v | 1.8 | 2,004 | BE3 | A | 1100 | ki | = | 7.1 | nM | -8.148742 | MOAD | Ki=7.1nM | P03366,P03366 | HIV-1 PROTEASE,HIV-1 PROTEASE | O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](OCc1cccc(F)c1)[C@H](O)[C@@H](O)[C@@H](OCc1cccc(F)c1)C(=O)N[C@H]1c2ccccc2C[C@H]1O | 688.724 | 2.7062 | 157.58 | 13 | 50 | 6 | 8 | 0.125293 |
1w5w | 1.8 | 2,004 | BE4 | A | 1100 | ki | = | 1.6 | nM | -8.79588 | MOAD | Ki=1.6nM | P03366,P03366 | POL POLYPROTEIN,POL POLYPROTEIN | O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](OCc1ccc(F)cc1F)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(F)cc1F)C(=O)N[C@H]1c2ccccc2C[C@H]1O | 724.704 | 2.9844 | 157.58 | 13 | 52 | 6 | 8 | 0.115067 |
1w5x | 1.9 | 2,004 | BE5 | A | 501 | ki | = | 4 | nM | -8.39794 | MOAD | Ki=4.0nM | P03366,P03366 | POL POLYPROTEIN,POL POLYPROTEIN | O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](OCc1cccc(F)c1F)[C@H](O)[C@@H](O)[C@@H](OCc1cccc(F)c1F)C(=O)N[C@H]1c2ccccc2C[C@H]1O | 724.704 | 2.9844 | 157.58 | 13 | 52 | 6 | 8 | 0.115067 |
1w5y | 1.9 | 2,004 | BE6 | A | 1100 | ki | = | 3.3 | nM | -8.481486 | MOAD | Ki=3.3nM | P03366,P03366 | POL POLYPROTEIN,POL POLYPROTEIN | O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](OCc1cc(F)ccc1F)[C@H](O)[C@@H](O)[C@@H](OCc1cc(F)ccc1F)C(=O)N[C@H]1c2ccccc2C[C@H]1O | 724.704 | 2.9844 | 157.58 | 13 | 52 | 6 | 8 | 0.115067 |
1w62 | 2.5 | 2,006 | PYC | A | 700 | kd | = | 0 | M | -6.662758 | MOAD | Ka=4600000.0M^-1 | Q4DA80 | Proline racemase A | O=C([O-])c1ccc[nH]1 | 110.092 | -0.6218 | 55.92 | 1 | 8 | 1 | 2 | 0.523311 |
1w6h | 2.24 | 2,006 | TIT | A | 1330 | ki | = | 2.2 | nM | -8.657577 | BindingDB | Ki=2.2nM | P46925 | PLASMEPSIN 2 | CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O | 705.651 | 1.572 | 201.84 | 18 | 46 | 6 | 8 | 0.134195 |
1w6h | 2.24 | 2,006 | TIT | B | 1330 | ki | = | 2.2 | nM | -8.657577 | BindingDB | Ki=2.2nM | P46925 | PLASMEPSIN 2 | CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O | 705.651 | 1.572 | 201.84 | 18 | 46 | 6 | 8 | 0.134195 |
1w6j | 2.2 | 2,004 | R71 | A | 1733 | ic50 | = | 6.5 | nM | -8.187087 | BindingDB | IC50=6.5nM | P48449 | LANOSTEROL SYNTHASE | C=CC[N@H+](C)CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1 | 449.384 | 4.4591 | 30.74 | 12 | 28 | 1 | 2 | 0.294822 |
1w6o | 1.9 | 2,004 | BGC-GAL | C | 1-2 | kd | = | 0.000455 | M | -3.342423 | MOAD | Ka=2200.0M^-1 | P09382 | GALECTIN-1 | OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O | 342.297 | -5.3972 | 189.53 | 4 | 23 | 8 | 11 | 0.243258 |
1w6o | 1.9 | 2,004 | BGC-GAL | D | 1-2 | kd | = | 0.000455 | M | -3.342423 | MOAD | Ka=2200.0M^-1 | P09382 | GALECTIN-1 | OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O | 342.297 | -5.3972 | 189.53 | 4 | 23 | 8 | 11 | 0.243258 |
1w6r | 2.05 | 2,004 | GNT | A | 1536 | ic50 | = | 702 | nM | -6.153663 | MOAD | ic50=702.0nM | P04058 | ACETYLCHOLINESTERASE | COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](C)C2 | 288.367 | 0.4332 | 43.13 | 1 | 21 | 2 | 3 | 0.736803 |
1w6y | 2.1 | 2,005 | EQU | A | 201 | kd | = | 4.4 | uM | -5.356547 | MOAD | Kd=4.4uM | P07445 | STEROID DELTA-ISOMERASE | C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1CCC2=O | 266.34 | 3.9444 | 37.3 | 0 | 20 | 1 | 2 | 0.783727 |
1w72 | 2.15 | 2,004 | GLU-TYR | C | 1-9 | kd | = | 14 | nM | -7.853872 | MOAD | Kd=14.0nM | P61769,P04439 | BETA-2-MICROGLOBULIN,HLA CLASS I HISTOCOMPATIBILITY ANTIGEN | C[C@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(=O)N[C@@H](CC(=O)[O-])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-])[C@@H](C)O | 973.951 | -10.66 | 461.41 | 27 | 69 | 12 | 18 | 0.039543 |
1w72 | 2.15 | 2,004 | GLU-TYR | F | 1-9 | kd | = | 14 | nM | -7.853872 | MOAD | Kd=14.0nM | P04439,P61769 | HLA CLASS I HISTOCOMPATIBILITY ANTIGEN,BETA-2-MICROGLOBULIN | C[C@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(=O)N[C@@H](CC(=O)[O-])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-])[C@@H](C)O | 973.951 | -10.66 | 461.41 | 27 | 69 | 12 | 18 | 0.039543 |
1w76 | 2.3 | 2,004 | GNT | B | 1538 | ic50 | = | 702 | nM | -6.153663 | MOAD | ic50=702.0nM | P04058 | ACETYLCHOLINESTERASE | COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](C)C2 | 288.367 | 0.4332 | 43.13 | 1 | 21 | 2 | 3 | 0.736803 |
1w76 | 2.3 | 2,004 | GNT | A | 1538 | ic50 | = | 702 | nM | -6.153663 | MOAD | ic50=702.0nM | P04058 | ACETYLCHOLINESTERASE | COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](C)C2 | 288.367 | 0.4332 | 43.13 | 1 | 21 | 2 | 3 | 0.736803 |
1w7g | 1.65 | 2,006 | MIU | H | 300 | ki | ~ | 13 | uM | -4.886057 | MOAD | Ki~13.0uM | P00734,P00734 | THROMBIN,THROMBIN | NC(N)=[NH+]CCC[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CC[NH+](CCC[NH3+])CC1 | 510.607 | -4.1544 | 164.57 | 11 | 34 | 6 | 3 | 0.10092 |
1w7h | 2.214 | 2,005 | 3IP | A | 1355 | ic50 | > | 1 | mM | -3 | MOAD | ic50>1.0mM | Q16539 | MITOGEN-ACTIVATED PROTEIN KINASE 14 | Nc1ncccc1OCc1ccccc1 | 200.241 | 2.2428 | 48.14 | 3 | 15 | 1 | 3 | 0.826128 |
1w7x | 1.8 | 2,005 | 413 | H | 1261 | ki | = | 0.004 | uM | -8.39794 | MOAD | Ki=0.004uM | P08709,P08709 | BLOOD COAGULATION FACTOR VIIA,BLOOD COAGULATION FACTOR VIIA | COc1cc([C@@H](Nc2ccc(C(N)=[NH2+])cc2)C(=O)N[C@H](C(=O)[O-])c2ccccc2)ccc1OCc1ccccc1 | 538.604 | 1.4992 | 151.33 | 12 | 40 | 4 | 6 | 0.157608 |
1w82 | 2.2 | 2,005 | L10 | A | 1356 | ic50 | = | 196 | nM | -6.707744 | MOAD | ic50=196.0nM | Q16539 | MITOGEN-ACTIVATED PROTEIN KINASE 14 | CC(C)(C)c1cc(=NC(=O)Nc2ccc(Cl)cc2)n(-c2ccccc2)[nH]1 | 368.868 | 4.8891 | 62.18 | 2 | 26 | 2 | 2 | 0.664251 |
1w83 | 2.5 | 2,005 | L11 | A | 1355 | ic50 | = | 0.065 | uM | -7.187087 | MOAD | ic50=0.065uM | Q16539 | MITOGEN-ACTIVATED PROTEIN KINASE 14 | O=C(Nc1ccc(Cl)c(COc2cccnc2)c1)c1cc(F)cc(N2CCOCC2)c1 | 441.89 | 4.542 | 63.69 | 6 | 31 | 1 | 5 | 0.608001 |
1w84 | 2.2 | 2,005 | L12 | A | 1356 | ic50 | = | 35 | uM | -4.455932 | MOAD | ic50=35.0uM | Q16539 | MITOGEN-ACTIVATED PROTEIN KINASE 14 | c1ccc2c(CCc3ccncc3)c[nH]c2c1 | 222.291 | 3.3481 | 28.68 | 3 | 17 | 1 | 1 | 0.72297 |
1w8b | 3.0 | 2,005 | 413 | H | 1259 | ki | = | 4 | nM | -8.39794 | BindingDB | Ki=4nM | P08709,P08709 | BLOOD COAGULATION FACTOR VIIA,BLOOD COAGULATION FACTOR VIIA | COc1cc([C@@H](Nc2ccc(C(N)=[NH2+])cc2)C(=O)N[C@H](C(=O)[O-])c2ccccc2)ccc1OCc1ccccc1 | 538.604 | 1.4992 | 151.33 | 12 | 40 | 4 | 6 | 0.157608 |
1w8c | 2.05 | 2,006 | N69 | A | 1301 | ic50 | = | 27,700 | nM | -4.55752 | BindingDB | IC50=27700nM | P24941 | CELL DIVISION PROTEIN KINASE 2 | CC(C)c1nc2c(OCC3CCCCC3)nc(N)nc2[nH]1 | 289.383 | 3.0176 | 89.71 | 4 | 21 | 2 | 5 | 0.902603 |
1w8l | 1.8 | 2,004 | 1P3 | A | 1166 | ki | = | 320 | mM | -0.49485 | MOAD | Ki=320.0mM | P62937 | PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | CC(=O)N1CCC[C@@H](C)C1 | 141.214 | 1.2648 | 20.31 | 0 | 10 | 0 | 1 | 0.49713 |
1w8m | 1.65 | 2,004 | E1P | A | 1166 | ki | = | 25 | mM | -1.60206 | MOAD | Ki=25.0mM | P62937 | PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | CCOC(=O)C(=O)N1CCCCC1 | 185.223 | 0.562 | 46.61 | 1 | 13 | 0 | 3 | 0.442761 |
1w96 | 1.8 | 2,005 | S1A | A | 1567 | kd | = | 3.9 | nM | -8.408935 | MOAD | Kd=3.9nM | Q00955 | ACETYL-COENZYME A CARBOXYLASE | CO[C@H]1CCCC[C@@H](c2ccccc2)OC(=O)[C@@H](C)[C@@]2(O)O[C@H]([C@@H](C)[C@H](O)[C@H]2OC)[C@@H](C)/C=C/[C@H]1OC | 520.663 | 3.8027 | 103.68 | 4 | 37 | 2 | 8 | 0.456499 |
1w96 | 1.8 | 2,005 | S1A | B | 1567 | kd | = | 3.9 | nM | -8.408935 | MOAD | Kd=3.9nM | Q00955 | ACETYL-COENZYME A CARBOXYLASE | CO[C@H]1CCCC[C@@H](c2ccccc2)OC(=O)[C@@H](C)[C@@]2(O)O[C@H]([C@@H](C)[C@H](O)[C@H]2OC)[C@@H](C)/C=C/[C@H]1OC | 520.663 | 3.8027 | 103.68 | 4 | 37 | 2 | 8 | 0.456499 |
1w96 | 1.8 | 2,005 | S1A | C | 1550 | kd | = | 3.9 | nM | -8.408935 | MOAD | Kd=3.9nM | Q00955 | ACETYL-COENZYME A CARBOXYLASE | CO[C@H]1CCCC[C@@H](c2ccccc2)OC(=O)[C@@H](C)[C@@]2(O)O[C@H]([C@@H](C)[C@H](O)[C@H]2OC)[C@@H](C)/C=C/[C@H]1OC | 520.663 | 3.8027 | 103.68 | 4 | 37 | 2 | 8 | 0.456499 |
1w9b | 1.7 | 2,005 | CGT | M | 999 | ic50 | = | 0.99 | mM | -3.004365 | MOAD | ic50=0.99mM | P29736 | GLYCOSIDASE | O=S(=O)([O-])O/N=C(/Cc1ccccc1)S[C@@H]1C[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | 406.458 | -0.7839 | 159.71 | 6 | 26 | 4 | 10 | 0.156098 |
1w9u | 1.85 | 2,004 | 0AR-UN1 | C | 1434-1438 | kd | = | 0.81 | uM | -6.091515 | MOAD | Kd=0.81uM | Q873X9 | CHITINASE | CC(=O)NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@H](CCCC(=O)[O-])NC(=O)[C@H](Cc2c[nH]cn2)N2C(=O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O | 672.7 | -5.9201 | 280.52 | 10 | 48 | 7 | 10 | 0.053172 |
1w9u | 1.85 | 2,004 | 0AR-UN1 | D | 1434-1438 | kd | = | 0.81 | uM | -6.091515 | MOAD | Kd=0.81uM | Q873X9 | CHITINASE | CC(=O)NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@H](CCCC(=O)[O-])NC(=O)[C@H](Cc2c[nH]cn2)N2C(=O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O | 672.7 | -5.9201 | 280.52 | 10 | 48 | 7 | 10 | 0.053172 |
1w9v | 2.0 | 2,005 | VR0-DAL | C | 1434-1438 | kd | = | 0.46 | uM | -6.337242 | MOAD | Kd=0.46uM | E9QRF2 | CHITINASE | CNC(=O)NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@@H](C(=O)[O-])NC(=O)C[C@@H](C(=O)[O-])NC(=O)[C@H](Cc2ccccc2)N(C)C1=O | 674.692 | -7.2773 | 295.72 | 8 | 48 | 8 | 10 | 0.072779 |
1w9v | 2.0 | 2,005 | VR0-DAL | D | 1434-1438 | kd | = | 0.46 | uM | -6.337242 | MOAD | Kd=0.46uM | E9QRF2 | CHITINASE | CNC(=O)NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@@H](C(=O)[O-])NC(=O)C[C@@H](C(=O)[O-])NC(=O)[C@H](Cc2ccccc2)N(C)C1=O | 674.692 | -7.2773 | 295.72 | 8 | 48 | 8 | 10 | 0.072779 |
1waw | 1.75 | 2,005 | 0AR-UN1 | B | 1392-1396 | ic50 | = | 0.013 | uM | -7.886057 | MOAD | ic50=0.013uM | Q13231 | CHITOTRIOSIDASE 1 | CC(=O)NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@H](CCCC(=O)[O-])NC(=O)[C@H](Cc2c[nH]cn2)N2C(=O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O | 672.7 | -5.9201 | 280.52 | 10 | 48 | 7 | 10 | 0.053172 |
1wax | 2.2 | 2,005 | LO1 | A | 1300 | ic50 | = | 86 | uM | -4.065502 | MOAD | ic50=86.0uM | P18031 | PROTEIN-TYROSINE PHOSPHATASE | [NH3+]Cc1ccc(NC(=O)C(=O)[O-])cc1 | 194.19 | -1.8831 | 96.87 | 2 | 14 | 2 | 3 | 0.53885 |
1way | 2.02 | 2,005 | L02 | B | 1248 | ic50 | = | 400 | uM | -3.39794 | MOAD | ic50=400.0uM | P00734,P00734 | THROMBIN LIGHT CHAIN,THROMBIN HEAVY CHAIN | Clc1ccc(-c2cc(C3CC[NH2+]CC3)[nH]n2)cc1 | 262.764 | 2.1709 | 45.29 | 2 | 18 | 2 | 1 | 0.85614 |
1wb0 | 1.65 | 2,005 | VR0-DAL | B | 1388-1392 | ic50 | = | 4.5 | uM | -5.346787 | MOAD | ic50=4.5uM | Q13231 | CHITOTRIOSIDASE 1 | CNC(=O)NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@@H](C(=O)[O-])NC(=O)C[C@@H](C(=O)[O-])NC(=O)[C@H](Cc2ccccc2)N(C)C1=O | 674.692 | -7.2773 | 295.72 | 8 | 48 | 8 | 10 | 0.072779 |
1wbg | 2.2 | 2,005 | L03 | B | 1248 | ic50 | = | 1 | mM | -3 | MOAD | ic50=1.0mM | P00734,P00734 | THROMBIN LIGHT CHAIN,THROMBIN HEAVY CHAIN | CSc1nnc(-c2ccc(Cl)cc2)[nH]1 | 225.704 | 2.847 | 41.57 | 2 | 14 | 1 | 3 | 0.799582 |
1wbj | 1.5 | 2,006 | G3P | A | 1268 | kd | = | 0.31 | mM | -3.508638 | MOAD | Kd=0.31mM | P00929 | TRYPTOPHAN SYNTHASE ALPHA CHAIN | O=P([O-])([O-])OC[C@@H](O)CO | 170.057 | -2.8151 | 112.88 | 4 | 10 | 2 | 6 | 0.439876 |
1wbn | 2.4 | 2,005 | L09 | A | 1355 | ic50 | = | 0.35 | uM | -6.455932 | MOAD | ic50=0.35uM | Q16539 | MITOGEN-ACTIVATED PROTEIN KINASE 14 | CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)c(COc3cccnc3)c2)[nH]n1 | 399.882 | 4.9786 | 91.93 | 5 | 28 | 3 | 4 | 0.563814 |
1wbo | 2.16 | 2,005 | 2CH | A | 1355 | ic50 | > | 1 | mM | -3 | MOAD | ic50>1.0mM | Q16539 | MITOGEN-ACTIVATED PROTEIN KINASE 14 | Oc1ccccc1Cl | 128.558 | 2.0456 | 20.23 | 0 | 8 | 1 | 1 | 0.567108 |
1wbs | 1.8 | 2,005 | LI2 | A | 1355 | ic50 | = | 0.63 | uM | -6.200659 | MOAD | ic50=0.63uM | Q16539 | MITOGEN-ACTIVATED PROTEIN KINASE 14 | O=C(Nc1ccc2[nH]cc(CCc3ccncc3)c2c1)c1cc(F)cc(N2CCOCC2)c1 | 444.51 | 4.5761 | 70.25 | 6 | 33 | 2 | 4 | 0.45692 |
1wbt | 2.0 | 2,005 | WBT | A | 1355 | ic50 | = | 0.34 | uM | -6.468521 | MOAD | ic50=0.34uM | Q16539 | MITOGEN-ACTIVATED PROTEIN KINASE 14 | O=C(Nc1ccc2ccn(CCc3ccncc3)c2c1)c1cc(F)cc(N2CCOCC2)c1 | 444.51 | 4.507 | 59.39 | 6 | 33 | 1 | 5 | 0.475569 |
1wbv | 2.0 | 2,005 | LI3 | A | 1355 | ic50 | = | 162 | uM | -3.790485 | MOAD | ic50=162.0uM | Q16539 | MITOGEN-ACTIVATED PROTEIN KINASE 14 | O=C(Nc1ccc2[nH]ccc2c1)c1cc(F)cc(N2CCOCC2)c1 | 339.37 | 3.3959 | 57.36 | 3 | 25 | 2 | 3 | 0.768903 |
1wbw | 2.41 | 2,005 | LI4 | A | 1355 | ic50 | = | 44 | uM | -4.356547 | MOAD | ic50=44.0uM | Q16539 | MITOGEN-ACTIVATED PROTEIN KINASE 14 | Nc1ncccc1OCc1cccc2ccccc12 | 250.301 | 3.396 | 48.14 | 3 | 19 | 1 | 3 | 0.774655 |
1wc0 | 2.4 | 2,004 | APC | B | 1500 | ki | = | 0.3 | mM | -3.522879 | MOAD | Ki=0.3mM | O32393,O32393 | ADENYLATE CYCLASE,ADENYLATE CYCLASE | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])C[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O | 501.178 | -4.0461 | 281.22 | 8 | 31 | 3 | 17 | 0.290067 |
1wc0 | 2.4 | 2,004 | APC | A | 1500 | ki | = | 0.3 | mM | -3.522879 | MOAD | Ki=0.3mM | O32393,O32393 | ADENYLATE CYCLASE,ADENYLATE CYCLASE | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])C[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O | 501.178 | -4.0461 | 281.22 | 8 | 31 | 3 | 17 | 0.290067 |
1wc1 | 1.93 | 2,004 | TAT | C | 1500 | ki | ~ | 0.1 | mM | -4 | MOAD | Ki~0.1mM | O32393,O32393 | ADENYLATE CYCLASE,ADENYLATE CYCLASE | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([S-])O[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O | 519.218 | -2.9704 | 267.39 | 8 | 31 | 3 | 18 | 0.231902 |
1wc1 | 1.93 | 2,004 | TAT | A | 1500 | ki | ~ | 0.1 | mM | -4 | MOAD | Ki~0.1mM | O32393 | ADENYLATE CYCLASE | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([S-])O[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O | 519.218 | -2.9704 | 267.39 | 8 | 31 | 3 | 18 | 0.231902 |
1wc1 | 1.93 | 2,004 | TAT | B | 1500 | ki | ~ | 0.1 | mM | -4 | MOAD | Ki~0.1mM | O32393,O32393 | ADENYLATE CYCLASE,ADENYLATE CYCLASE | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([S-])O[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O | 519.218 | -2.9704 | 267.39 | 8 | 31 | 3 | 18 | 0.231902 |
1wc3 | 1.9 | 2,004 | APC | B | 1500 | ki | = | 0.3 | mM | -3.522879 | MOAD | Ki=0.3mM | O32393,O32393 | ADENYLATE CYCLASE,ADENYLATE CYCLASE | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])C[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O | 501.178 | -4.0461 | 281.22 | 8 | 31 | 3 | 17 | 0.290067 |
1wc3 | 1.9 | 2,004 | APC | A | 1500 | ki | = | 0.3 | mM | -3.522879 | MOAD | Ki=0.3mM | O32393,O32393 | ADENYLATE CYCLASE,ADENYLATE CYCLASE | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])C[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O | 501.178 | -4.0461 | 281.22 | 8 | 31 | 3 | 17 | 0.290067 |
1wc5 | 2.3 | 2,004 | APC | B | 1500 | ki | = | 0.3 | mM | -3.522879 | MOAD | Ki=0.3mM | O32393,O32393 | ADENYLATE CYCLASE,ADENYLATE CYCLASE | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])C[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O | 501.178 | -4.0461 | 281.22 | 8 | 31 | 3 | 17 | 0.290067 |
1wc5 | 2.3 | 2,004 | APC | C | 1500 | ki | = | 0.3 | mM | -3.522879 | MOAD | Ki=0.3mM | O32393,O32393 | ADENYLATE CYCLASE,ADENYLATE CYCLASE | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])C[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O | 501.178 | -4.0461 | 281.22 | 8 | 31 | 3 | 17 | 0.290067 |
1wc5 | 2.3 | 2,004 | APC | D | 1500 | ki | = | 0.3 | mM | -3.522879 | MOAD | Ki=0.3mM | O32393,O32393 | ADENYLATE CYCLASE,ADENYLATE CYCLASE | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])C[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O | 501.178 | -4.0461 | 281.22 | 8 | 31 | 3 | 17 | 0.290067 |
1wc5 | 2.3 | 2,004 | APC | A | 1500 | ki | = | 0.3 | mM | -3.522879 | MOAD | Ki=0.3mM | O32393,O32393 | ADENYLATE CYCLASE,ADENYLATE CYCLASE | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])C[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O | 501.178 | -4.0461 | 281.22 | 8 | 31 | 3 | 17 | 0.290067 |
1wcb | 2.5 | 2,006 | PE1 | A | 1215 | kd | = | 26 | nM | -7.585027 | MOAD | Kd=26.0nM | null | null | Cc1ncc(COP(=O)([O-])[O-])c(C[NH2+][C@@H](CCCC[NH3+])C(=O)[O-])c1O | 376.326 | -3.96498 | 189.92 | 11 | 25 | 3 | 8 | 0.257196 |
1wcb | 2.5 | 2,006 | PE1 | L | 1216 | kd | = | 26 | nM | -7.585027 | MOAD | Kd=26.0nM | null | null | Cc1ncc(COP(=O)([O-])[O-])c(C[NH2+][C@@H](CCCC[NH3+])C(=O)[O-])c1O | 376.326 | -3.96498 | 189.92 | 11 | 25 | 3 | 8 | 0.257196 |
1wcc | 2.2 | 2,005 | CIG | A | 1299 | ic50 | = | 350 | uM | -3.455932 | MOAD | ic50=350.0uM | P24941 | CELL DIVISION PROTEIN KINASE 2 | Nc1cncc(Cl)n1 | 129.55 | 0.7122 | 51.8 | 0 | 8 | 1 | 3 | 0.561507 |
1wcq | 2.1 | 2,005 | DAN | C | 1651 | ki | = | 0.55 | uM | -6.259637 | MOAD | Ki=0.55uM | Q02834 | SIALIDASE | CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)[O-])=C[C@@H]1O | 290.248 | -4.4013 | 159.38 | 5 | 20 | 5 | 8 | 0.3391 |
1wcq | 2.1 | 2,005 | DAN | B | 1652 | ki | = | 0.55 | uM | -6.259637 | MOAD | Ki=0.55uM | Q02834 | SIALIDASE | CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)[O-])=C[C@@H]1O | 290.248 | -4.4013 | 159.38 | 5 | 20 | 5 | 8 | 0.3391 |
1wcq | 2.1 | 2,005 | DAN | A | 1651 | ki | = | 0.55 | uM | -6.259637 | MOAD | Ki=0.55uM | Q02834 | SIALIDASE | CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)[O-])=C[C@@H]1O | 290.248 | -4.4013 | 159.38 | 5 | 20 | 5 | 8 | 0.3391 |
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