Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01626530
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 |
INO | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCL | 0.71 | |
INO | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCJ | 0.71 | |
POS | 1-[[(4-PHENOXYPHENYL)SULFONYL]AMINO]- 3-[[N/N-(4-PYRIDINYLCARBONYL)-L- LEUCYL]AMINO]-2-PROPANOL | A | 1AU2 | 0.73 | |
HQA | 3-(8-hydroxyquinolin-3-yl)-L-alanine | A,B | 3FCA | 0.71 | |
PXG | 3-[O-PHOSPHONOPYRIDOXYL]--AMINO- BENZOIC ACID | A | 1B9I | 0.74 | |
TPV | N-(3-{(1R)-1-[(6R)-4-HYDROXY-2- OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO- 2H-PYRAN-3-YL]PROPYL}PHENYL)-5- (TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE | A,B | 2O4P | 0.75 | |
TPV | N-(3-{(1R)-1-[(6R)-4-HYDROXY-2- OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO- 2H-PYRAN-3-YL]PROPYL}PHENYL)-5- (TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE | A | 1D4S | 0.75 | |
TPV | N-(3-{(1R)-1-[(6R)-4-HYDROXY-2- OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO- 2H-PYRAN-3-YL]PROPYL}PHENYL)-5- (TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE | A,B | 2O4L | 0.75 | |
TPV | N-(3-{(1R)-1-[(6R)-4-HYDROXY-2- OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO- 2H-PYRAN-3-YL]PROPYL}PHENYL)-5- (TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE | A | 1D4Y | 0.75 | |
TPV | N-(3-{(1R)-1-[(6R)-4-HYDROXY-2- OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO- 2H-PYRAN-3-YL]PROPYL}PHENYL)-5- (TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE | A,B | 2O4N | 0.75 | |
I04 | N-{(3R,4R)-4-[4-(2-FLUORO-6-HYDROXY- 3-METHOXY-BENZOYL)-BENZOYLAMINO]- AZEPAN-3-YL}ISONICOTINAMIDE | A | 1SVG | 0.71 | |
R68 | N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN- 2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN- 3-YL}ISONICOTINAMIDE | A | 1XHA | 0.71 | |
R68 | N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN- 2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN- 3-YL}ISONICOTINAMIDE | A,B | 1XH5 | 0.71 | |
4HG | N-[(4-HYDROXY-8-IODOISOQUINOLIN- 3-YL)CARBONYL]GLYCINE | A | 2G19 | 0.72 | |
4HG | N-[(4-HYDROXY-8-IODOISOQUINOLIN- 3-YL)CARBONYL]GLYCINE | A | 2G1M | 0.72 | |
ET1 | 3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]- 1H-indol-3-yl}propanoic acid | A | 3ET3 | 0.71 | |
ET1 | 3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]- 1H-indol-3-yl}propanoic acid | A,B | 3ET1 | 0.71 | |
ET1 | 3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]- 1H-indol-3-yl}propanoic acid | A,B | 3ET2 | 0.71 | |
HQU | 3-HYDROXYQUINALDIC ACID | C,D | 193D | 0.72 | |
R96 | N-[4-({4-[5-(3,3-DIMETHYLPIPERIDIN- 1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN- 3-YL]ISONICOTINAMIDE | A | 1XH7 | 0.74 | |
896 | N-ETHYL-N-ISOPROPYL-3-METHYL-5- {[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE | B,H | 2UUJ | 0.7 | |
BDE | N'-[(1E)-(3,5-DIBROMO-2,4-DIHYDROXYPHENYL)METHYLENE]NICOTINOHYDRAZIDE | A,B,C,D,E,F | 2GLP | 0.7 | |
R55 | N-[4-({4-[5-(4,4-DIMETHYLPIPERIDIN- 1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN- 3-YL]ISONICOTINAMIDE | A | 1XH8 | 0.74 | |
CGS | N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3- PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE | A,B,C,D | 2W0D | 0.73 | |
CGS | N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3- PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE | A | 3AYK | 0.73 | |
CGS | N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3- PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE | A,B | 1JIZ | 0.73 | |
CGS | N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3- PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE | A | 4AYK | 0.73 | |
PYU | 2-(1H-pyrrol-1-ylcarbonyl)benzene- 1,3,5-triol | A,B | 3EKO | 0.74 | |
R94 | N-(4-{[4-(2-HYDROXY-5-PIPERIDIN- 1-YLBENZOYL)BENZOYL]AMINO}AZEPAN- 3-YL)ISONICOTINAMIDE | A | 1XH6 | 0.75 | |
SAS | 2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID | A,B | 13GS | 0.87 | |
2SM | methyl 2-{[(4-methylpyrimidin-2- yl)carbamoyl]sulfamoyl}benzoate | A | 3EA4 | 0.73 | |
859 | 2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN- 4-YL}AMINO)BENZAMIDE | A,B | 2NO3 | 0.72 | |
HFS | 1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE | E | 2ERZ | 0.74 | |
HFS | 1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE | A,B | 2ETK | 0.74 | |
WAY | N-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)- PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL- BENZAMIDE | A | 1FLS | 0.78 | |
WAY | N-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)- PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL- BENZAMIDE | A | 1FM1 | 0.78 | |
I08 | (3R,4S)-N-(4-{TRANS-2-[4-(2-FLUORO- 6-HYDROXY-3-METHOXY-BENZOYL)-PHENYL]- VINYL}-AZEPAN-3-YL)-ISONICOTINAMIDE | A | 1SVH | 0.7 | |
R69 | N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN- 3-YL]ISONICOTINAMIDE | A | 1XH4 | 0.76 | |
R69 | N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN- 3-YL]ISONICOTINAMIDE | A | 1XH9 | 0.76 |