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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2w66 | 2.27 | 2,009 | HQ6 | B | 1716 | ki | = | 89 | uM | -4.05061 | MOAD | Ki=89.0uM | Q89ZI2 | O-GLCNACASE BT_4395 | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)[NH2+]C[C@H]1O | 235.26 | -4.4883 | 126.63 | 2 | 16 | 6 | 5 | 0.287557 |
2w67 | 2.25 | 2,009 | F34 | A | 1716 | ki | = | 11 | uM | -4.958607 | MOAD | Ki=11.0uM | Q89ZI2 | O-GLCNACASE BT_4395 | CC(=O)N[C@H]1C[NH2+]C[C@@H](O)[C@@H](O)[C@@H]1O | 205.234 | -3.8492 | 106.4 | 1 | 14 | 5 | 4 | 0.301991 |
2w67 | 2.25 | 2,009 | F34 | B | 1589 | ki | = | 11 | uM | -4.958607 | MOAD | Ki=11.0uM | Q89ZI2 | O-GLCNACASE BT_4395 | CC(=O)N[C@H]1C[NH2+]C[C@@H](O)[C@@H](O)[C@@H]1O | 205.234 | -3.8492 | 106.4 | 1 | 14 | 5 | 4 | 0.301991 |
2w6m | 2.0 | 2,009 | OA1 | A | 1447 | ic50 | = | 21.5 | uM | -4.667562 | MOAD | ic50=21.5uM | P24182 | BIOTIN CARBOXYLASE | Nc1ncc(C(=O)c2cccc(Br)c2)o1 | 267.082 | 2.2503 | 69.12 | 2 | 15 | 1 | 4 | 0.847026 |
2w6m | 2.0 | 2,009 | OA1 | B | 1446 | ic50 | = | 21.5 | uM | -4.667562 | MOAD | ic50=21.5uM | P24182 | BIOTIN CARBOXYLASE | Nc1ncc(C(=O)c2cccc(Br)c2)o1 | 267.082 | 2.2503 | 69.12 | 2 | 15 | 1 | 4 | 0.847026 |
2w6n | 1.87 | 2,009 | OA2 | A | 1446 | ic50 | = | 0.125 | uM | -6.90309 | MOAD | ic50=0.125uM | P24182 | BIOTIN CARBOXYLASE | Nc1ncc(C(=O)N(Cc2ccccc2)Cc2ccccc2)o1 | 307.353 | 3.0994 | 72.36 | 5 | 23 | 1 | 4 | 0.785863 |
2w6n | 1.87 | 2,009 | OA2 | B | 1446 | ic50 | = | 0.125 | uM | -6.90309 | MOAD | ic50=0.125uM | P24182 | BIOTIN CARBOXYLASE | Nc1ncc(C(=O)N(Cc2ccccc2)Cc2ccccc2)o1 | 307.353 | 3.0994 | 72.36 | 5 | 23 | 1 | 4 | 0.785863 |
2w6o | 2.5 | 2,009 | OA3 | C | 1447 | ic50 | = | 60.8 | uM | -4.216096 | MOAD | ic50=60.8uM | P24182 | BIOTIN CARBOXYLASE | CC1(C)CC(=O)c2c(N)ncnc2C1 | 191.234 | 1.2139 | 68.87 | 0 | 14 | 1 | 4 | 0.668899 |
2w6o | 2.5 | 2,009 | OA3 | A | 1446 | ic50 | = | 60.8 | uM | -4.216096 | MOAD | ic50=60.8uM | P24182 | BIOTIN CARBOXYLASE | CC1(C)CC(=O)c2c(N)ncnc2C1 | 191.234 | 1.2139 | 68.87 | 0 | 14 | 1 | 4 | 0.668899 |
2w6p | 1.85 | 2,009 | OA4 | A | 1447 | ic50 | = | 0.333 | uM | -6.477556 | MOAD | ic50=0.333uM | P24182 | ACETYL-COA CARBOXYLASE | Cc1c(-c2ccccc2)ccc2nc(N)nc(N)c12 | 250.305 | 2.76962 | 77.82 | 1 | 19 | 2 | 4 | 0.695758 |
2w6q | 2.05 | 2,009 | OA5 | A | 1447 | ic50 | = | 25.4 | uM | -4.595166 | MOAD | ic50=25.4uM | P24182 | BIOTIN CARBOXYLASE | Nc1nc(N)nc(OCCOc2ccccc2)n1 | 247.258 | 0.4938 | 109.17 | 5 | 18 | 2 | 7 | 0.739835 |
2w6q | 2.05 | 2,009 | OA5 | B | 1446 | ic50 | = | 25.4 | uM | -4.595166 | MOAD | ic50=25.4uM | P24182 | BIOTIN CARBOXYLASE | Nc1nc(N)nc(OCCOc2ccccc2)n1 | 247.258 | 0.4938 | 109.17 | 5 | 18 | 2 | 7 | 0.739835 |
2w6z | 1.9 | 2,009 | L21 | A | 1447 | ic50 | = | 1,500 | uM | -2.823909 | MOAD | ic50=1500.0uM | P24182 | BIOTIN CARBOXYLASE | CC(C)=CCn1cnc(N)c2ncnc1-2 | 203.249 | 1.3263 | 69.62 | 2 | 15 | 1 | 5 | 0.747306 |
2w70 | 1.77 | 2,009 | L22 | A | 1447 | ic50 | = | 12 | uM | -4.920819 | MOAD | ic50=12.0uM | P24182 | BIOTIN CARBOXYLASE | Nc1nccc(-c2csc(N)n2)n1 | 193.235 | 0.7645 | 90.71 | 1 | 13 | 2 | 6 | 0.697446 |
2w70 | 1.77 | 2,009 | L22 | B | 1447 | ic50 | = | 12 | uM | -4.920819 | MOAD | ic50=12.0uM | P24182 | BIOTIN CARBOXYLASE | Nc1nccc(-c2csc(N)n2)n1 | 193.235 | 0.7645 | 90.71 | 1 | 13 | 2 | 6 | 0.697446 |
2w71 | 1.99 | 2,009 | L23 | C | 1448 | ic50 | = | 0.334 | uM | -6.476254 | MOAD | ic50=0.334uM | P24182 | BIOTIN CARBOXYLASE | Cc1nc(-c2ccnc(N)n2)cn1Cc1c(Cl)cccc1Cl | 334.21 | 3.58582 | 69.62 | 3 | 22 | 1 | 5 | 0.794671 |
2w71 | 1.99 | 2,009 | L23 | A | 1448 | ic50 | = | 0.334 | uM | -6.476254 | MOAD | ic50=0.334uM | P24182 | BIOTIN CARBOXYLASE | Cc1nc(-c2ccnc(N)n2)cn1Cc1c(Cl)cccc1Cl | 334.21 | 3.58582 | 69.62 | 3 | 22 | 1 | 5 | 0.794671 |
2w7x | 2.07 | 2,009 | D1A | A | 601 | ic50 | = | 24 | nM | -7.619789 | MOAD | ic50=24.0nM | O96017 | SERINE/THREONINE-PROTEIN KINASE CHK2 | C/C(=N\NC(N)=[NH2+])c1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1 | 380.388 | 0.7158 | 164.03 | 5 | 28 | 5 | 4 | 0.190097 |
2w8y | 1.8 | 2,009 | 486 | A | 1000 | ki | = | 1.1 | nM | -8.958607 | BindingDB | IC50=0.300000nM,Ki=1.1nM,EC50=>10000nM | P06401 | PROGESTERONE RECEPTOR | CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C | 429.604 | 5.4065 | 40.54 | 2 | 32 | 1 | 3 | 0.639526 |
2w8y | 1.8 | 2,009 | NDR | B | 1000 | kd | = | 0.4 | nM | -9.39794 | BindingDB | Kd=0.4nM,Ki=1.9nM,IC50=3.2nM,EC50=2.2nM | P06401 | PROGESTERONE RECEPTOR | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C | 298.426 | 3.4925 | 37.3 | 0 | 22 | 1 | 2 | 0.695089 |
2w95 | 1.75 | 2,010 | NGA | A | 254 | kd | = | 302 | uM | -3.519993 | MOAD | Kd=302.0uM | P02886,P02886 | DISCOIDIN-1 SUBUNIT A,DISCOIDIN-1 SUBUNIT A | CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O | 221.209 | -3.0776 | 119.25 | 2 | 15 | 5 | 6 | 0.337239 |
2w95 | 1.75 | 2,010 | NGA | B | 254 | kd | = | 302 | uM | -3.519993 | MOAD | Kd=302.0uM | P02886,P02886 | DISCOIDIN-1 SUBUNIT A,DISCOIDIN-1 SUBUNIT A | CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O | 221.209 | -3.0776 | 119.25 | 2 | 15 | 5 | 6 | 0.337239 |
2w95 | 1.75 | 2,010 | NGA | C | 254 | kd | = | 302 | uM | -3.519993 | MOAD | Kd=302.0uM | P02886,P02886 | DISCOIDIN-1 SUBUNIT A,DISCOIDIN-1 SUBUNIT A | CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O | 221.209 | -3.0776 | 119.25 | 2 | 15 | 5 | 6 | 0.337239 |
2w97 | 2.29 | 2,010 | MGO | A | 1218 | kd | ~ | 9 | nM | -8.045757 | MOAD | Kd~9.0nM | P06730,P06730 | EUKARYOTIC TRANSLATION INITIATION FACTOR 4E,EUKARYOTIC TRANSLATION INITIATION FACTOR 4E | C[n+]1cn([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c2cc(N)[nH]c(=O)c21 | 533.196 | -4.8292 | 288.52 | 8 | 33 | 4 | 16 | 0.18276 |
2w9g | 1.95 | 2,009 | TOP | A | 1159 | kd | = | 0.97 | nM | -9.013228 | MOAD | Kd=0.97nM | P0A017 | DIHYDROFOLATE REDUCTASE | COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC | 290.323 | 1.2576 | 105.51 | 5 | 21 | 2 | 7 | 0.853356 |
2w9g | 1.95 | 2,009 | NDP | A | 1160 | kd | = | 8.1 | nM | -8.091515 | MOAD | Kd=8.1nM | P0A017 | DIHYDROFOLATE REDUCTASE | NC(=O)C1=CN([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)C=CC1 | 741.393 | -5.0974 | 375.47 | 13 | 48 | 5 | 23 | 0.119838 |
2w9h | 1.48 | 2,009 | TOP | A | 1160 | kd | = | 430 | nM | -6.366532 | MOAD | Kd=430.0nM | P0A017 | DIHYDROFOLATE REDUCTASE | COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC | 290.323 | 1.2576 | 105.51 | 5 | 21 | 2 | 7 | 0.853356 |
2w9s | 1.8 | 2,009 | NDP | A | 1159 | kd | = | 2,370 | nM | -5.625252 | MOAD | Kd=2370.0nM | P13955,P13955,P13955 | DIHYDROFOLATE REDUCTASE TYPE 1 FROM TN4003,DIHYDROFOLATE REDUCTASE TYPE 1 FROM TN4003,DIHYDROFOLATE REDUCTASE TYPE 1 FROM TN4003 | NC(=O)C1=CN([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)C=CC1 | 741.393 | -5.0974 | 375.47 | 13 | 48 | 5 | 23 | 0.119838 |
2w9s | 1.8 | 2,009 | TOP | B | 1160 | kd | = | 730 | nM | -6.136677 | MOAD | Kd=730.0nM | P13955,P13955,P13955 | DIHYDROFOLATE REDUCTASE TYPE 1 FROM TN4003,DIHYDROFOLATE REDUCTASE TYPE 1 FROM TN4003,DIHYDROFOLATE REDUCTASE TYPE 1 FROM TN4003 | COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC | 290.323 | 1.2576 | 105.51 | 5 | 21 | 2 | 7 | 0.853356 |
2w9s | 1.8 | 2,009 | NDP | B | 1159 | kd | = | 2,370 | nM | -5.625252 | MOAD | Kd=2370.0nM | P13955,P13955,P13955 | DIHYDROFOLATE REDUCTASE TYPE 1 FROM TN4003,DIHYDROFOLATE REDUCTASE TYPE 1 FROM TN4003,DIHYDROFOLATE REDUCTASE TYPE 1 FROM TN4003 | NC(=O)C1=CN([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)C=CC1 | 741.393 | -5.0974 | 375.47 | 13 | 48 | 5 | 23 | 0.119838 |
2w9s | 1.8 | 2,009 | TOP | C | 1160 | kd | = | 730 | nM | -6.136677 | MOAD | Kd=730.0nM | P13955,P13955 | DIHYDROFOLATE REDUCTASE TYPE 1 FROM TN4003,DIHYDROFOLATE REDUCTASE TYPE 1 FROM TN4003 | COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC | 290.323 | 1.2576 | 105.51 | 5 | 21 | 2 | 7 | 0.853356 |
2w9s | 1.8 | 2,009 | NDP | C | 1159 | kd | = | 2,370 | nM | -5.625252 | MOAD | Kd=2370.0nM | P13955,P13955 | DIHYDROFOLATE REDUCTASE TYPE 1 FROM TN4003,DIHYDROFOLATE REDUCTASE TYPE 1 FROM TN4003 | NC(=O)C1=CN([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)C=CC1 | 741.393 | -5.0974 | 375.47 | 13 | 48 | 5 | 23 | 0.119838 |
2w9s | 1.8 | 2,009 | TOP | D | 1158 | kd | = | 730 | nM | -6.136677 | MOAD | Kd=730.0nM | P13955,P13955,P13955 | DIHYDROFOLATE REDUCTASE TYPE 1 FROM TN4003,DIHYDROFOLATE REDUCTASE TYPE 1 FROM TN4003,DIHYDROFOLATE REDUCTASE TYPE 1 FROM TN4003 | COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC | 290.323 | 1.2576 | 105.51 | 5 | 21 | 2 | 7 | 0.853356 |
2w9s | 1.8 | 2,009 | TOP | E | 1160 | kd | = | 730 | nM | -6.136677 | MOAD | Kd=730.0nM | P13955,P13955 | DIHYDROFOLATE REDUCTASE TYPE 1 FROM TN4003,DIHYDROFOLATE REDUCTASE TYPE 1 FROM TN4003 | COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC | 290.323 | 1.2576 | 105.51 | 5 | 21 | 2 | 7 | 0.853356 |
2w9s | 1.8 | 2,009 | TOP | F | 1159 | kd | = | 730 | nM | -6.136677 | MOAD | Kd=730.0nM | P13955,P13955,P13955 | DIHYDROFOLATE REDUCTASE TYPE 1 FROM TN4003,DIHYDROFOLATE REDUCTASE TYPE 1 FROM TN4003,DIHYDROFOLATE REDUCTASE TYPE 1 FROM TN4003 | COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC | 290.323 | 1.2576 | 105.51 | 5 | 21 | 2 | 7 | 0.853356 |
2w9s | 1.8 | 2,009 | TOP | A | 1160 | kd | = | 730 | nM | -6.136677 | MOAD | Kd=730.0nM | P13955,P13955,P13955 | DIHYDROFOLATE REDUCTASE TYPE 1 FROM TN4003,DIHYDROFOLATE REDUCTASE TYPE 1 FROM TN4003,DIHYDROFOLATE REDUCTASE TYPE 1 FROM TN4003 | COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC | 290.323 | 1.2576 | 105.51 | 5 | 21 | 2 | 7 | 0.853356 |
2wa3 | 2.5 | 2,010 | A29 | A | 400 | ic50 | = | 1 | mM | -3 | MOAD | ic50=1.0mM | Q9NWT6 | HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR | O=C([O-])C(=O)c1cccc(O)c1 | 165.124 | -0.6752 | 77.43 | 2 | 12 | 1 | 4 | 0.465096 |
2wa4 | 2.5 | 2,010 | 069 | A | 400 | ic50 | = | 18 | uM | -4.744727 | MOAD | ic50=18.0uM | Q9NWT6 | HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR | O=C(NO)c1cccc(O)c1 | 153.137 | 0.5112 | 69.56 | 1 | 11 | 3 | 3 | 0.406404 |
2wa4 | 2.5 | 2,010 | 069 | A | 401 | ic50 | = | 18 | uM | -4.744727 | MOAD | ic50=18.0uM | Q9NWT6 | HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR | O=C(NO)c1cccc(O)c1 | 153.137 | 0.5112 | 69.56 | 1 | 11 | 3 | 3 | 0.406404 |
2waj | 2.4 | 2,009 | SNB | A | 1401 | ic50 | = | 0.398 | uM | -6.400117 | MOAD | ic50=0.398uM | P53779 | MITOGEN-ACTIVATED PROTEIN KINASE 10 | COc1cc2c(cc1Cl)C(c1cccc(Br)c1)=[NH+]CC2 | 351.651 | 2.5852 | 23.2 | 2 | 20 | 1 | 1 | 0.882995 |
2wbb | 2.22 | 2,009 | RO3 | H | 1336 | ic50 | = | 0.92 | uM | -6.036212 | MOAD | ic50=0.92uM | P09467,P09467 | FRUCTOSE-1,6-BISPHOSPHATASE 1,FRUCTOSE-1,6-BISPHOSPHATASE 1 | Cc1ccc(S(=O)(=O)NC(=O)Nc2ncc(Br)s2)cc1 | 376.257 | 2.72442 | 88.16 | 3 | 20 | 2 | 5 | 0.862358 |
2wbb | 2.22 | 2,009 | RO3 | G | 1336 | ic50 | = | 0.92 | uM | -6.036212 | MOAD | ic50=0.92uM | P09467,P09467 | FRUCTOSE-1,6-BISPHOSPHATASE 1,FRUCTOSE-1,6-BISPHOSPHATASE 1 | Cc1ccc(S(=O)(=O)NC(=O)Nc2ncc(Br)s2)cc1 | 376.257 | 2.72442 | 88.16 | 3 | 20 | 2 | 5 | 0.862358 |
2wbb | 2.22 | 2,009 | RO3 | F | 1336 | ic50 | = | 0.92 | uM | -6.036212 | MOAD | ic50=0.92uM | P09467,P09467 | FRUCTOSE-1,6-BISPHOSPHATASE 1,FRUCTOSE-1,6-BISPHOSPHATASE 1 | Cc1ccc(S(=O)(=O)NC(=O)Nc2ncc(Br)s2)cc1 | 376.257 | 2.72442 | 88.16 | 3 | 20 | 2 | 5 | 0.862358 |
2wbb | 2.22 | 2,009 | RO3 | A | 1336 | ic50 | = | 0.92 | uM | -6.036212 | MOAD | ic50=0.92uM | P09467,P09467 | FRUCTOSE-1,6-BISPHOSPHATASE 1,FRUCTOSE-1,6-BISPHOSPHATASE 1 | Cc1ccc(S(=O)(=O)NC(=O)Nc2ncc(Br)s2)cc1 | 376.257 | 2.72442 | 88.16 | 3 | 20 | 2 | 5 | 0.862358 |
2wbb | 2.22 | 2,009 | RO3 | D | 1336 | ic50 | = | 0.92 | uM | -6.036212 | MOAD | ic50=0.92uM | P09467,P09467 | FRUCTOSE-1,6-BISPHOSPHATASE 1,FRUCTOSE-1,6-BISPHOSPHATASE 1 | Cc1ccc(S(=O)(=O)NC(=O)Nc2ncc(Br)s2)cc1 | 376.257 | 2.72442 | 88.16 | 3 | 20 | 2 | 5 | 0.862358 |
2wbb | 2.22 | 2,009 | RO3 | C | 1336 | ic50 | = | 0.92 | uM | -6.036212 | MOAD | ic50=0.92uM | P09467,P09467 | FRUCTOSE-1,6-BISPHOSPHATASE 1,FRUCTOSE-1,6-BISPHOSPHATASE 1 | Cc1ccc(S(=O)(=O)NC(=O)Nc2ncc(Br)s2)cc1 | 376.257 | 2.72442 | 88.16 | 3 | 20 | 2 | 5 | 0.862358 |
2wbb | 2.22 | 2,009 | RO3 | E | 1336 | ic50 | = | 0.92 | uM | -6.036212 | MOAD | ic50=0.92uM | P09467,P09467 | FRUCTOSE-1,6-BISPHOSPHATASE 1,FRUCTOSE-1,6-BISPHOSPHATASE 1 | Cc1ccc(S(=O)(=O)NC(=O)Nc2ncc(Br)s2)cc1 | 376.257 | 2.72442 | 88.16 | 3 | 20 | 2 | 5 | 0.862358 |
2wbb | 2.22 | 2,009 | RO3 | B | 1336 | ic50 | = | 0.92 | uM | -6.036212 | MOAD | ic50=0.92uM | P09467,P09467 | FRUCTOSE-1,6-BISPHOSPHATASE 1,FRUCTOSE-1,6-BISPHOSPHATASE 1 | Cc1ccc(S(=O)(=O)NC(=O)Nc2ncc(Br)s2)cc1 | 376.257 | 2.72442 | 88.16 | 3 | 20 | 2 | 5 | 0.862358 |
2wbd | 2.4 | 2,009 | RO5 | G | 1337 | ic50 | = | 0.23 | uM | -6.638272 | MOAD | ic50=0.23uM | P09467,P09467 | FRUCTOSE-1,6-BISPHOSPHATASE 1,FRUCTOSE-1,6-BISPHOSPHATASE 1 | CCc1cccc(S(=O)(=O)NC(=O)Nc2ncc(Br)s2)c1 | 390.284 | 2.9784 | 88.16 | 4 | 21 | 2 | 5 | 0.840335 |
2wbd | 2.4 | 2,009 | RO5 | F | 1337 | ic50 | = | 0.23 | uM | -6.638272 | MOAD | ic50=0.23uM | P09467,P09467 | FRUCTOSE-1,6-BISPHOSPHATASE 1,FRUCTOSE-1,6-BISPHOSPHATASE 1 | CCc1cccc(S(=O)(=O)NC(=O)Nc2ncc(Br)s2)c1 | 390.284 | 2.9784 | 88.16 | 4 | 21 | 2 | 5 | 0.840335 |
2wbd | 2.4 | 2,009 | RO5 | H | 1337 | ic50 | = | 0.23 | uM | -6.638272 | MOAD | ic50=0.23uM | P09467,P09467 | FRUCTOSE-1,6-BISPHOSPHATASE 1,FRUCTOSE-1,6-BISPHOSPHATASE 1 | CCc1cccc(S(=O)(=O)NC(=O)Nc2ncc(Br)s2)c1 | 390.284 | 2.9784 | 88.16 | 4 | 21 | 2 | 5 | 0.840335 |
2wbd | 2.4 | 2,009 | RO5 | C | 1337 | ic50 | = | 0.23 | uM | -6.638272 | MOAD | ic50=0.23uM | P09467,P09467 | FRUCTOSE-1,6-BISPHOSPHATASE 1,FRUCTOSE-1,6-BISPHOSPHATASE 1 | CCc1cccc(S(=O)(=O)NC(=O)Nc2ncc(Br)s2)c1 | 390.284 | 2.9784 | 88.16 | 4 | 21 | 2 | 5 | 0.840335 |
2wbd | 2.4 | 2,009 | RO5 | B | 1337 | ic50 | = | 0.23 | uM | -6.638272 | MOAD | ic50=0.23uM | P09467,P09467 | FRUCTOSE-1,6-BISPHOSPHATASE 1,FRUCTOSE-1,6-BISPHOSPHATASE 1 | CCc1cccc(S(=O)(=O)NC(=O)Nc2ncc(Br)s2)c1 | 390.284 | 2.9784 | 88.16 | 4 | 21 | 2 | 5 | 0.840335 |
2wbd | 2.4 | 2,009 | RO5 | A | 1337 | ic50 | = | 0.23 | uM | -6.638272 | MOAD | ic50=0.23uM | P09467,P09467 | FRUCTOSE-1,6-BISPHOSPHATASE 1,FRUCTOSE-1,6-BISPHOSPHATASE 1 | CCc1cccc(S(=O)(=O)NC(=O)Nc2ncc(Br)s2)c1 | 390.284 | 2.9784 | 88.16 | 4 | 21 | 2 | 5 | 0.840335 |
2wbd | 2.4 | 2,009 | RO5 | D | 1337 | ic50 | = | 0.23 | uM | -6.638272 | MOAD | ic50=0.23uM | P09467,P09467 | FRUCTOSE-1,6-BISPHOSPHATASE 1,FRUCTOSE-1,6-BISPHOSPHATASE 1 | CCc1cccc(S(=O)(=O)NC(=O)Nc2ncc(Br)s2)c1 | 390.284 | 2.9784 | 88.16 | 4 | 21 | 2 | 5 | 0.840335 |
2wbd | 2.4 | 2,009 | RO5 | E | 1337 | ic50 | = | 0.23 | uM | -6.638272 | MOAD | ic50=0.23uM | P09467,P09467 | FRUCTOSE-1,6-BISPHOSPHATASE 1,FRUCTOSE-1,6-BISPHOSPHATASE 1 | CCc1cccc(S(=O)(=O)NC(=O)Nc2ncc(Br)s2)c1 | 390.284 | 2.9784 | 88.16 | 4 | 21 | 2 | 5 | 0.840335 |
2wbg | 1.85 | 2,009 | LGS | A | 1446 | ki | = | 35.2 | uM | -4.453457 | MOAD | Ki=35.2uM | Q08638 | BETA-GLUCOSIDASE A | CCCCCCCC/[NH+]=C1\OC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)N12 | 317.406 | -2.101 | 107.36 | 7 | 22 | 5 | 5 | 0.344402 |
2wbg | 1.85 | 2,009 | LGS | B | 1446 | ki | = | 35.2 | uM | -4.453457 | MOAD | Ki=35.2uM | Q08638 | BETA-GLUCOSIDASE A | CCCCCCCC/[NH+]=C1\OC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)N12 | 317.406 | -2.101 | 107.36 | 7 | 22 | 5 | 5 | 0.344402 |
2wbg | 1.85 | 2,009 | LGS | C | 1446 | ki | = | 35.2 | uM | -4.453457 | MOAD | Ki=35.2uM | Q08638 | BETA-GLUCOSIDASE A | CCCCCCCC/[NH+]=C1\OC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)N12 | 317.406 | -2.101 | 107.36 | 7 | 22 | 5 | 5 | 0.344402 |
2wbg | 1.85 | 2,009 | LGS | D | 1446 | ki | = | 35.2 | uM | -4.453457 | MOAD | Ki=35.2uM | Q08638 | BETA-GLUCOSIDASE A | CCCCCCCC/[NH+]=C1\OC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)N12 | 317.406 | -2.101 | 107.36 | 7 | 22 | 5 | 5 | 0.344402 |
2wc3 | 2.0 | 2,009 | AM3 | A | 1446 | ki | = | 0.83 | uM | -6.080922 | MOAD | Ki=0.83uM | Q08638 | BETA-GLUCOSIDASE A | CCCCCCCC[NH+]=C1OC[C@@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](O)N12 | 317.406 | -2.101 | 107.36 | 7 | 22 | 5 | 5 | 0.344402 |
2wc3 | 2.0 | 2,009 | AM3 | B | 1446 | ki | = | 0.83 | uM | -6.080922 | MOAD | Ki=0.83uM | Q08638 | BETA-GLUCOSIDASE A | CCCCCCCC/[NH+]=C1\OC[C@@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](O)N12 | 317.406 | -2.101 | 107.36 | 7 | 22 | 5 | 5 | 0.344402 |
2wc3 | 2.0 | 2,009 | AM3 | C | 1446 | ki | = | 0.83 | uM | -6.080922 | MOAD | Ki=0.83uM | Q08638 | BETA-GLUCOSIDASE A | CCCCCCCC/[NH+]=C1\OC[C@@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](O)N12 | 317.406 | -2.101 | 107.36 | 7 | 22 | 5 | 5 | 0.344402 |
2wc3 | 2.0 | 2,009 | AM3 | D | 1446 | ki | = | 0.83 | uM | -6.080922 | MOAD | Ki=0.83uM | Q08638 | BETA-GLUCOSIDASE A | CCCCCCCC[NH+]=C1OC[C@@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](O)N12 | 317.406 | -2.101 | 107.36 | 7 | 22 | 5 | 5 | 0.344402 |
2wc4 | 1.7 | 2,009 | AMF | A | 1446 | kd | = | 5.1 | uM | -5.29243 | MOAD | Kd=5.1uM | Q08638 | BETA-GLUCOSIDASE A | CCCCCCCC/[NH+]=C1\SC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)N12 | 333.474 | -1.3844 | 98.13 | 7 | 22 | 5 | 5 | 0.368353 |
2wc4 | 1.7 | 2,009 | AMF | D | 1446 | kd | = | 5.1 | uM | -5.29243 | MOAD | Kd=5.1uM | Q08638 | BETA-GLUCOSIDASE A | CCCCCCCC/[NH+]=C1\SC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)N12 | 333.474 | -1.3844 | 98.13 | 7 | 22 | 5 | 5 | 0.368353 |
2wc4 | 1.7 | 2,009 | AMF | B | 1446 | kd | = | 5.1 | uM | -5.29243 | MOAD | Kd=5.1uM | Q08638 | BETA-GLUCOSIDASE A | CCCCCCCC/[NH+]=C1\SC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)N12 | 333.474 | -1.3844 | 98.13 | 7 | 22 | 5 | 5 | 0.368353 |
2wc4 | 1.7 | 2,009 | AMF | C | 1446 | kd | = | 5.1 | uM | -5.29243 | MOAD | Kd=5.1uM | Q08638 | BETA-GLUCOSIDASE A | CCCCCCCC/[NH+]=C1\SC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)N12 | 333.474 | -1.3844 | 98.13 | 7 | 22 | 5 | 5 | 0.368353 |
2wcv | 1.9 | 2,009 | FUC | C | 1141 | kd | = | 1.7 | mM | -2.769551 | MOAD | Kd=1.7mM | P0AEN8,P0AEN8,P0AEN8 | L-FUCOSE MUTAROTASE,L-FUCOSE MUTAROTASE,L-FUCOSE MUTAROTASE | C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O | 164.157 | -2.1938 | 90.15 | 0 | 11 | 4 | 5 | 0.326216 |
2wcv | 1.9 | 2,009 | FUC | A | 1141 | kd | = | 1.7 | mM | -2.769551 | MOAD | Kd=1.7mM | P0AEN8,P0AEN8,P0AEN8 | L-FUCOSE MUTAROTASE,L-FUCOSE MUTAROTASE,L-FUCOSE MUTAROTASE | C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O | 164.157 | -2.1938 | 90.15 | 0 | 11 | 4 | 5 | 0.326216 |
2wcv | 1.9 | 2,009 | FUC | J | 1141 | kd | = | 1.7 | mM | -2.769551 | MOAD | Kd=1.7mM | P0AEN8,P0AEN8,P0AEN8 | L-FUCOSE MUTAROTASE,L-FUCOSE MUTAROTASE,L-FUCOSE MUTAROTASE | C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O | 164.157 | -2.1938 | 90.15 | 0 | 11 | 4 | 5 | 0.326216 |
2wcv | 1.9 | 2,009 | FUC | I | 1141 | kd | = | 1.7 | mM | -2.769551 | MOAD | Kd=1.7mM | P0AEN8,P0AEN8,P0AEN8 | L-FUCOSE MUTAROTASE,L-FUCOSE MUTAROTASE,L-FUCOSE MUTAROTASE | C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O | 164.157 | -2.1938 | 90.15 | 0 | 11 | 4 | 5 | 0.326216 |
2wcv | 1.9 | 2,009 | FUC | H | 1141 | kd | = | 1.7 | mM | -2.769551 | MOAD | Kd=1.7mM | P0AEN8,P0AEN8,P0AEN8 | L-FUCOSE MUTAROTASE,L-FUCOSE MUTAROTASE,L-FUCOSE MUTAROTASE | C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O | 164.157 | -2.1938 | 90.15 | 0 | 11 | 4 | 5 | 0.326216 |
2wcv | 1.9 | 2,009 | FUC | B | 1141 | kd | = | 1.7 | mM | -2.769551 | MOAD | Kd=1.7mM | P0AEN8,P0AEN8,P0AEN8 | L-FUCOSE MUTAROTASE,L-FUCOSE MUTAROTASE,L-FUCOSE MUTAROTASE | C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O | 164.157 | -2.1938 | 90.15 | 0 | 11 | 4 | 5 | 0.326216 |
2wcv | 1.9 | 2,009 | FUC | F | 1141 | kd | = | 1.7 | mM | -2.769551 | MOAD | Kd=1.7mM | P0AEN8,P0AEN8,P0AEN8 | L-FUCOSE MUTAROTASE,L-FUCOSE MUTAROTASE,L-FUCOSE MUTAROTASE | C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O | 164.157 | -2.1938 | 90.15 | 0 | 11 | 4 | 5 | 0.326216 |
2wcv | 1.9 | 2,009 | FUC | D | 1141 | kd | = | 1.7 | mM | -2.769551 | MOAD | Kd=1.7mM | P0AEN8,P0AEN8 | L-FUCOSE MUTAROTASE,L-FUCOSE MUTAROTASE | C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O | 164.157 | -2.1938 | 90.15 | 0 | 11 | 4 | 5 | 0.326216 |
2wcv | 1.9 | 2,009 | FUC | G | 1141 | kd | = | 1.7 | mM | -2.769551 | MOAD | Kd=1.7mM | P0AEN8,P0AEN8 | L-FUCOSE MUTAROTASE,L-FUCOSE MUTAROTASE | C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O | 164.157 | -2.1938 | 90.15 | 0 | 11 | 4 | 5 | 0.326216 |
2wcv | 1.9 | 2,009 | FUC | E | 1141 | kd | = | 1.7 | mM | -2.769551 | MOAD | Kd=1.7mM | P0AEN8,P0AEN8,P0AEN8 | L-FUCOSE MUTAROTASE,L-FUCOSE MUTAROTASE,L-FUCOSE MUTAROTASE | C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O | 164.157 | -2.1938 | 90.15 | 0 | 11 | 4 | 5 | 0.326216 |
2wcx | 2.0 | 2,009 | VGC | A | 1534 | ic50 | = | 0.025 | uM | -7.60206 | MOAD | ic50=0.025uM | P26663 | RNA-DIRECTED RNA POLYMERASE | Cn1c(-c2ccccc2)c(C2CCCCC2)c2sc(C(=O)[O-])cc21 | 338.452 | 4.318 | 45.06 | 3 | 24 | 0 | 4 | 0.713821 |
2wd1 | 2.0 | 2,009 | ZZY | A | 2347 | ic50 | = | 82 | nM | -7.086186 | MOAD | ic50=82.0nM | P08581 | HEPATOCYTE GROWTH FACTOR RECEPTOR | NC(=O)c1cnc2ccn(S(=O)(=O)c3ccccc3[N+](=O)[O-])c2c1 | 346.324 | 1.2804 | 138.19 | 4 | 24 | 1 | 7 | 0.557543 |
2wd7 | 1.9 | 2,009 | VGD | A | 1269 | ki | = | 10.6 | uM | -4.974694 | MOAD | Ki=10.6uM | O76290 | PTERIDINE REDUCTASE | Nc1nc2ccc(Cl)cc2[nH]1 | 167.599 | 1.7985 | 54.7 | 0 | 11 | 2 | 2 | 0.628811 |
2wd7 | 1.9 | 2,009 | VGD | B | 1269 | ki | = | 10.6 | uM | -4.974694 | MOAD | Ki=10.6uM | O76290 | PTERIDINE REDUCTASE | Nc1nc2ccc(Cl)cc2[nH]1 | 167.599 | 1.7985 | 54.7 | 0 | 11 | 2 | 2 | 0.628811 |
2wd7 | 1.9 | 2,009 | VGD | C | 1269 | ki | = | 10.6 | uM | -4.974694 | MOAD | Ki=10.6uM | O76290 | PTERIDINE REDUCTASE | Nc1nc2ccc(Cl)cc2[nH]1 | 167.599 | 1.7985 | 54.7 | 0 | 11 | 2 | 2 | 0.628811 |
2wd7 | 1.9 | 2,009 | VGD | D | 1269 | ki | = | 10.6 | uM | -4.974694 | MOAD | Ki=10.6uM | O76290 | PTERIDINE REDUCTASE | Nc1nc2ccc(Cl)cc2[nH]1 | 167.599 | 1.7985 | 54.7 | 0 | 11 | 2 | 2 | 0.628811 |
2wd8 | 2.1 | 2,009 | VGF | D | 1269 | kd | = | 10.6 | uM | -4.974694 | MOAD | Kd=10.6uM | O76290,O76290,O76290,O76290 | PTERIDINE REDUCTASE,PTERIDINE REDUCTASE,PTERIDINE REDUCTASE,PTERIDINE REDUCTASE | Nc1nc2cccc(-c3ccccc3)c2n1Cc1ccc(Cl)c(Cl)c1 | 368.267 | 5.6406 | 43.84 | 3 | 25 | 1 | 3 | 0.50853 |
2wd8 | 2.1 | 2,009 | VGF | B | 1269 | kd | = | 10.6 | uM | -4.974694 | MOAD | Kd=10.6uM | O76290,O76290,O76290,O76290 | PTERIDINE REDUCTASE,PTERIDINE REDUCTASE,PTERIDINE REDUCTASE,PTERIDINE REDUCTASE | Nc1nc2cccc(-c3ccccc3)c2n1Cc1ccc(Cl)c(Cl)c1 | 368.267 | 5.6406 | 43.84 | 3 | 25 | 1 | 3 | 0.50853 |
2wd8 | 2.1 | 2,009 | VGF | A | 1270 | kd | = | 10.6 | uM | -4.974694 | MOAD | Kd=10.6uM | O76290,O76290,O76290,O76290 | PTERIDINE REDUCTASE,PTERIDINE REDUCTASE,PTERIDINE REDUCTASE,PTERIDINE REDUCTASE | Nc1nc2cccc(-c3ccccc3)c2n1Cc1ccc(Cl)c(Cl)c1 | 368.267 | 5.6406 | 43.84 | 3 | 25 | 1 | 3 | 0.50853 |
2wd8 | 2.1 | 2,009 | VGF | C | 1270 | kd | = | 10.6 | uM | -4.974694 | MOAD | Kd=10.6uM | O76290,O76290,O76290,O76290 | PTERIDINE REDUCTASE,PTERIDINE REDUCTASE,PTERIDINE REDUCTASE,PTERIDINE REDUCTASE | Nc1nc2cccc(-c3ccccc3)c2n1Cc1ccc(Cl)c(Cl)c1 | 368.267 | 5.6406 | 43.84 | 3 | 25 | 1 | 3 | 0.50853 |
2wdo | 1.56 | 2,010 | ACO | A | 1125 | kd | = | 2.4 | uM | -5.619789 | MOAD | Kd=2.4uM | O86785 | HOLO-[ACYL-CARRIER-PROTEIN] SYNTHASE | CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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-] | 805.546 | -3.8434 | 374.95 | 19 | 51 | 5 | 23 | 0.067002 |
2wds | 1.35 | 2,010 | COA | A | 1124 | kd | = | 0.45 | uM | -6.346787 | MOAD | Kd=0.45uM | 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 |
2wdy | 1.4 | 2,010 | COA | A | 1128 | kd | = | 0.85 | uM | -6.070581 | MOAD | Kd=0.85uM | 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 |
2we0 | 2.01 | 2,009 | UMP | A | 1257 | kd | = | 37 | uM | -4.431798 | MOAD | Kd=37.0uM | P03195 | DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE | O=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)c(=O)[nH]1 | 306.167 | -2.9697 | 156.74 | 4 | 20 | 2 | 9 | 0.558115 |
2web | 1.5 | 1,998 | PP4 | A | 326 | ki | = | 7.6 | uM | -5.119186 | MOAD | Ki=7.6uM | P00798 | PENICILLOPEPSIN | COC(=O)[C@H](Cc1ccccc1)O[P@](=O)([O-])[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](NC=O)C(C)C | 539.545 | 2.9495 | 133.86 | 13 | 38 | 2 | 7 | 0.193802 |
2wec | 1.5 | 1,998 | PP5 | A | 326 | ki | = | 110 | uM | -3.958607 | MOAD | Ki=110.0uM | P00798 | PENICILLOPEPSIN | COC(=O)[C@H](Cc1ccccc1)O[P@@](=O)([O-])CNC(=O)[C@@H](NC(=O)Cc1cccc2ccccc12)C(C)C | 539.545 | 2.9511 | 133.86 | 12 | 38 | 2 | 7 | 0.267019 |
2wed | 1.5 | 1,998 | PP6 | A | 327 | ki | = | 0.8 | uM | -6.09691 | MOAD | Ki=0.8uM | P00798 | PENICILLOPEPSIN | COC(=O)[C@H](Cc1ccccc1)O[P@](=O)([O-])[C@@H]1Cc2ccc3cccc(c3c2)CC(=O)N[C@@H](C(C)C)C(=O)N1 | 551.556 | 2.8758 | 133.86 | 7 | 39 | 2 | 7 | 0.340738 |
2weg | 1.1 | 2,009 | FBV | A | 1263 | kd | = | 314 | nM | -6.50307 | MOAD | Kd=314.0nM | P00918 | CARBONIC ANHYDRASE 2 | NS(=O)(=O)c1ccccc1F | 175.184 | 0.4731 | 60.16 | 1 | 11 | 1 | 2 | 0.674128 |
2weh | 2.09 | 2,009 | FB1 | A | 1263 | kd | = | 1,125 | nM | -5.948847 | MOAD | Kd=1125.0nM | P00918 | CARBONIC ANHYDRASE 2 | NS(=O)(=O)c1ccccc1Cl | 191.639 | 0.9874 | 60.16 | 1 | 11 | 1 | 2 | 0.719787 |
2wei | 1.65 | 2,009 | VGG | A | 600 | ic50 | = | 3.4 | nM | -8.468521 | MOAD | ic50=3.4nM | A3FQ16 | CALMODULIN-DOMAIN PROTEIN KINASE 1, PUTATIVE | Cc1cccc(Cc2nn(C(C)(C)C)c3ncnc(N)c23)c1 | 295.39 | 3.06272 | 69.62 | 2 | 22 | 1 | 5 | 0.788536 |
2wej | 1.45 | 2,009 | FB2 | A | 1263 | kd | = | 839 | nM | -6.076238 | MOAD | Kd=839.0nM | P00918 | CARBONIC ANHYDRASE 2 | NS(=O)(=O)c1ccccc1 | 157.194 | 0.334 | 60.16 | 1 | 10 | 1 | 2 | 0.638364 |
2weo | 1.4 | 2,009 | FBW | A | 1263 | kd | = | 118 | nM | -6.928118 | MOAD | Kd=118.0nM | P00918 | CARBONIC ANHYDRASE 2 | NS(=O)(=O)c1cccc(F)c1 | 175.184 | 0.4731 | 60.16 | 1 | 11 | 1 | 2 | 0.674128 |
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