Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00887846
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 |
4LG | METHYL (6-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)- 6-OXOPIPERAZIN-2-YL]METHOXY}-1H- INDOL-1-YL)ACETATE | A,B | 2G27 | 0.72 | |
POS | 1-[[(4-PHENOXYPHENYL)SULFONYL]AMINO]- 3-[[N/N-(4-PYRIDINYLCARBONYL)-L- LEUCYL]AMINO]-2-PROPANOL | A | 1AU2 | 0.73 | |
KIN | 1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3- [3-(TRIFLUOROMETHYL)PHENYL]UREA | A | 2HZN | 0.71 | |
3LG | (5-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)- 6-OXOPIPERAZIN-2-YL]METHOXY}-1H- INDOL-1-YL)ACETIC ACID | B | 2G26 | 0.7 | |
P10 | [1-(3-HYDROXY-2-OXO-1-PHENETHYL- PROPYLCARBAMOYL)2-PHENYL-ETHYL]- CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER | A | 1ME3 | 0.71 | |
FRC | 1-{(1R,2S)-2-HYDROXY-1-[2-(2-NAPHTHYLOXY)ETHYL]PROPYL}- 1H-IMIDAZONE-4-CARBOXAMIDE | A | 1V7A | 0.71 | |
WAY | N-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)- PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL- BENZAMIDE | A | 1FLS | 0.71 | |
WAY | N-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)- PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL- BENZAMIDE | A | 1FM1 | 0.71 | |
HRM | 7-METHOXY-1-METHYL-9H-BETA-CARBOLINE | A | 2Z5X | 0.75 | |
HRM | 7-METHOXY-1-METHYL-9H-BETA-CARBOLINE | A | 2Z5Y | 0.75 | |
D1G | N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE | A,B,C,D | 2FDU | 0.71 | |
SU9 | (3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)- 5-METHOXY-1H-INDOL-2(3H)-ONE | A | 1PF8 | 0.71 | |
BAX | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}- N-METHYLPYRIDINE-2-CARBOXAMIDE | A,B | 1UWH | 0.72 | |
BAX | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}- N-METHYLPYRIDINE-2-CARBOXAMIDE | A,B | 1UWJ | 0.72 | |
228 | N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]- 1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN- 4-YL]-D-PROLINAMIDE | A | 2ORO | 0.72 | |
BI5 | 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE | A | 1ZYJ | 0.8 | |
AKP | N-(PYRAZIN-2-YLCARBONYL)LEUCYLISOLEUCYL- N~1~-{1-[2-({1-CARBOXY-2-[4-(PHOSPHONOOXY)PHENYL]ETHYL}AMINO)- 1,1-DIHYDROXY-2-OXOETHYL]BUT-3- ENYL}-3-CYCLOHEXYLALANINAMIDE | A,B | 1RGQ | 0.78 | |
608 | N-(4-phenoxyphenyl)-2-[(pyridin- 4-ylmethyl)amino]nicotinamide | A,B | 2P2I | 0.72 | |
ONO | 2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMINO}CARBONYL)- 6-METHOXYPYRIDIN-3-YL]-5-{[(1-FORMYL- 2,2-DIMETHYLPROPYL)AMINO]CARBONYL}BENZOIC ACID | A | 2AYW | 0.71 | |
CGS | N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3- PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE | A,B,C,D | 2W0D | 0.74 | |
CGS | N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3- PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE | A | 3AYK | 0.74 | |
CGS | N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3- PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE | A,B | 1JIZ | 0.74 | |
CGS | N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3- PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE | A | 4AYK | 0.74 | |
D2G | N-METHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE | A,B,C,D | 2FDV | 0.73 | |
893 | 5-CYANO-N-(2,5-DIMETHOXYBENZYL)- 6-ETHOXYPYRIDINE-2-CARBOXAMIDE | A,B | 2H96 | 0.75 | |
ML1 | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide | A,B | 2QX4 | 0.74 | |
ML1 | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide | A,B | 2QX6 | 0.74 | |
ML1 | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide | A,B | 2QWX | 0.74 | |
897 | N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]- N-ISOPROPYL-3-METHYL-5-{[(2S)-2- (PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE | B,H | 2UUK | 0.75 | |
CEI | N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN- 2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE | A,B | 2PSJ | 0.71 | |
CEI | N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN- 2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE | A | 2F8P | 0.71 | |
CEI | N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN- 2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE | A | 1S36 | 0.71 | |
INP | 4-[[N-[(PHENYLMETHOXY)CARBONYL]- /NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4- (PYRIDINYLMETHOXY)CARBONYL]AMINO]- 4-METHYLPENT/NYL]-3-PYRROLIDINONE/N | A | 1AU4 | 0.73 | |
D3G | (5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE | A,B,C,D | 2FDW | 0.72 | |
R86 | 2-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)- 6-METHYLPYRIMIDIN-4-YL]-1-ISOBUTYRYLPIPERAZIN- 2-YL}-N-[2-(4-METHOXYPHENYL)ETHYL]ACETAMIDE | A | 2ORP | 0.76 | |
I08 | (3R,4S)-N-(4-{TRANS-2-[4-(2-FLUORO- 6-HYDROXY-3-METHOXY-BENZOYL)-PHENYL]- VINYL}-AZEPAN-3-YL)-ISONICOTINAMIDE | A | 1SVH | 0.72 | |
BO2 | N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]- N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE | 2,H,K,N,V,Y | 2F16 | 0.77 | |
I04 | N-{(3R,4R)-4-[4-(2-FLUORO-6-HYDROXY- 3-METHOXY-BENZOYL)-BENZOYLAMINO]- AZEPAN-3-YL}ISONICOTINAMIDE | A | 1SVG | 0.72 | |
IID | N-(1-ISOPROPYLPIPERIDIN-4-YL)-1- (3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE | A,B | 2BQ7 | 0.74 | |
9IP | N~3~-[3-(5-METHOXYPYRIDIN-3-YL)BENZYL]PYRIDINE- 2,3-DIAMINE | A | 2OHS | 0.71 | |
337 | N-benzyl-1-[5-({5-tert-butyl-2- methoxy-3-[(methylsulfonyl)amino]phenyl}carbamoyl)- 2-methylphenyl]-1H-1,2,3-triazole- 4-carboxamide | A | 3CTQ | 0.71 | |
896 | N-ETHYL-N-ISOPROPYL-3-METHYL-5- {[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE | B,H | 2UUJ | 0.76 |