Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01066481
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
326 | 2-{(E)-[5-HYDROXY-3-METHYL-1-(2- METHYL-4-SULFOPHENYL)-1H-PYRAZOL- 4-YL]DIAZENYL}-4-SULFOBENZOIC ACID | A,B | 1THZ | 0.71 | |
4PR | (3S)-1-{[(3,5-DIMETHYLISOXAZOL- 4-YL)AMINO]CARBONYL}-4,4-DIMETHYLPYRROLIDIN- 3-YL{(1S)-1-[1-HYDROXY-2-OXO-2- {[(1R)-1-PHENYLETHYL]AMINO}ETHYL]PENTYL}CARBAMATE | A | 2BDL | 0.7 | |
VR1 | (2S)-2-({(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]- 4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2- YL}AMINO)-2-(4-FLUOROPHENYL)-N- [(4-NITROPHENYL)SULFONYL]ACETAMIDE | A,B | 2O5D | 0.71 | |
VIA | 5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN- 1-YL)SULFONYL]PHENYL}-1-METHYL- 3-PROPYL-1H,6H,7H-PYRAZOLO[4,3- D]PYRIMIDIN-7-ONE | A | 1XOS | 0.7 | |
VIA | 5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN- 1-YL)SULFONYL]PHENYL}-1-METHYL- 3-PROPYL-1H,6H,7H-PYRAZOLO[4,3- D]PYRIMIDIN-7-ONE | A | 1TBF | 0.7 | |
VIA | 5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN- 1-YL)SULFONYL]PHENYL}-1-METHYL- 3-PROPYL-1H,6H,7H-PYRAZOLO[4,3- D]PYRIMIDIN-7-ONE | A,B,C | 2H42 | 0.7 | |
VIA | 5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN- 1-YL)SULFONYL]PHENYL}-1-METHYL- 3-PROPYL-1H,6H,7H-PYRAZOLO[4,3- D]PYRIMIDIN-7-ONE | A | 1UDT | 0.7 | |
IIA | 1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL- 3-YL]METHYL}-N-(1-ISOPROPYLPIPERIDIN- 4-YL)-1H-INDOLE-2-CARBOXAMIDE | A,B | 2BOH | 0.7 | |
588 | 2-{[2-(2-CARBAMOYL-VINYL)-4-(2- METHANESULFONYLAMINO-2-PENTYLCARBAMOYL- ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID | A | 1ONY | 0.7 | |
B22 | [2,2'-{[2-({3-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]PHENYL}AMINO)- 2-OXOETHYL]IMINO}DIACETATO(2-)- KAPPAO]COPPER | A | 2FOU | 0.7 | |
DY6 | 2-({[3-(3,4-dihydroisoquinolin- 2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid | A,B | 3DY6 | 0.72 | |
6C3 | 6-CHLORO-3-(3-METHYLISOXAZOL-5- YL)-4-PHENYLQUINOLIN-2(1H)-ONE | A | 2I0V | 0.73 | |
AG7 | 4-{2-(4-FLUORO-BENZYL)-6-METHYL- 5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)- AMINO]-4-OXO-HEPTANOYLAMINO}-5- (2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER | A | 1CQQ | 0.75 | |
WAY | N-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)- PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL- BENZAMIDE | A | 1FLS | 0.74 | |
WAY | N-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)- PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL- BENZAMIDE | A | 1FM1 | 0.74 | |
SOY | OXACILLIN-ACYLATED SERINE | A | 2IWD | 0.7 | |
MSI | 1-METHYL-5-(2-PHENOXYMETHYL-PYRROLIDINE- 1-SULFONYL)-1H-INDOLE-2,3-DIONE | A | 1GFW | 0.71 | |
PXB | parecoxib | A | 2ZMB | 0.85 | |
NSI | 3-(4-METHOXYPHENYL)-N-(PHENYLSULFONYL)- 1-[3-(TRIFLUOROMETHYL)BENZYL]-1H- INDOLE-2-CARBOXAMIDE | A | 2HFP | 0.71 | |
19B | 4-methyl-N-(3-morpholin-4-ylphenyl)- 3-(3-piperidin-4-yl-1,2-benzisoxazol- 6-yl)benzamide | A | 3E93 | 0.73 | |
3IH | N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL- L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)- 4-OXO-1-{[(3R)-2-OXOPYRROLIDIN- 3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | A | 2HOB | 0.75 | |
3IH | N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL- L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)- 4-OXO-1-{[(3R)-2-OXOPYRROLIDIN- 3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | A,B | 2AMQ | 0.75 | |
3IH | N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL- L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)- 4-OXO-1-{[(3R)-2-OXOPYRROLIDIN- 3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | A,B,C,D | 3D23 | 0.75 | |
3IH | N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL- L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)- 4-OXO-1-{[(3R)-2-OXOPYRROLIDIN- 3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | A,B | 2Q6F | 0.75 | |
COX | 4-(5-METHYL-3-PHENYLISOXAZOL-4- YL)BENZENESULFONAMIDE | A | 2AW1 | 0.81 |