Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03615329
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 |
001 | 1-[2,2-DIFLUORO-2-(3,4,5-TRIMETHOXY- PHENYL)-ACETYL]-PIPERIDINE-2-CARBOXYLIC ACID 4- PHENYL-1-(3-PYRIDIN-3-YL-PROPYL)- BUTYL ESTER | A,B,D | 1J4R | 0.7 |  |
AK6 | 4-methoxy-N-phenyl-3-({3-[(1H-pyrrolo[2,3- b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide | A | 3DJ6 | 0.71 | |
L11 | N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)- PHENYL]-3-FLUORO- | A | 1W83 | 0.71 | |
KIN | 1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3- [3-(TRIFLUOROMETHYL)PHENYL]UREA | A | 2HZN | 0.71 | |
BRL | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2- (METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]- (9CL) | A,D,U,X | 1FM6 | 0.87 | |
| BRL | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2- (METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]- (9CL) | A,B | 2PRG | 0.87 | |
| BRL | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2- (METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]- (9CL) | A | 1ZGY | 0.87 | |
| BRL | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2- (METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]- (9CL) | A,B | 3CS8 | 0.87 | |
| BRL | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2- (METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]- (9CL) | A,D | 3DZY | 0.87 | |
3IP | 3-(BENZYLOXY)PYRIDIN-2-AMINE | A | 1W7H | 0.73 | |
G6G | N-{3-[(3-{4-[(4-methoxyphenyl)amino]- 1,3,5-triazin-2-yl}pyridin-2-yl)amino]- 4-methylphenyl}-4-[(4-methylpiperazin- 1-yl)methyl]benzamide | A,B | 3G6G | 0.7 | |
MT3 | 2-benzyl-5-{4-[(6,7-dimethoxyquinolin- 4-yl)oxy]-3-fluorophenyl}-3-methylpyrimidin- 4(3H)-one | A,B | 3EFJ | 0.72 | |
075 | A | 2PK5 | 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 | |
541 | (2R)-N-HYDROXY-2-[(3S)-3-METHYL- 3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}- 2-OXOPYRROLIDIN-1-YL]PROPANAMIDE | A,B | 2FV5 | 0.72 | |
4MR | 5-(4-PHENOXYPHENYL)-5-(4-PYRIMIDIN- 2-YLPIPERAZIN-1-YL)PYRIMIDINE-2,4,6(2H,3H)- TRIONE | A,B | 2OVX | 0.72 | |
BT1 | {2-[4-(2-PYRROLIDIN-1-YL-ETHOXY)- PHENYL]-BENZO[B]THIOPHEN-3-YL}- [4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL]- METHANONE | B,H | 1D3T | 0.71 | |
BI5 | 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE | A | 1ZYJ | 0.78 | |
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 | 0.72 | |
RO1 | (3S,4AS,8AS)-N-(TERT-BUTYL)-2-[(3S)- 3-({3-(METHYLSULFONYL)-N-[(PYRIDIN- 3-YLOXY)ACETYL]-L-VALYL}AMINO)- 2-OXO-4-PHENYLBUTYL]DECAHYDROISOQUINOLINE- 3-CARBOXAMIDE | A,B | 2F3K | 0.75 | |
PIX | 4-(3-{[5-(trifluoromethyl)pyridin- 2-yl]oxy}benzyl)piperidine-1-carboxylic acid | A,B | 2WAP | 0.74 | |
L08 | 1-ACETYL-4-(4-{4-[(2-ETHOXYPHENYL)THIO]- 3-NITROPHENYL}PYRIDIN-2-YL)PIPERAZINE | A,B,C,D | 1RD4 | 0.75 | |
D3G | (5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE | A,B,C,D | 2FDW | 0.71 | |
O33 | (4R)-N-[(1S,2R)-2-HYDROXY-2,3-DIHYDRO- 1H-INDEN-1-YL]-3-[(2S,3S)-2-HYDROXY- 3-({N-[(ISOQUINOLIN-5-YLOXY)ACETYL]- S-METHYL-L-CYSTEINYL}AMINO)-4-PHENYLBUTANOYL]- 5,5-DIMETHYL-1,3-THIAZOLIDINE-4- CARBOXAMIDE | B | 2PK6 | 0.73 | |
5PI | N-(ETHYLSULFONYL)-5-PROPOXY-L-TRYPTOPHYL- N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}- L-GLUTAMAMIDE | H,L | 1WV7 | 0.71 | |
POF | (4aS,4bR,10bS,12aS)-12a-methyl- 1,3-dioxo-2-(pyridin-3-ylmethyl)- 1,2,3,4,4a,4b,5,6,10b,11,12,12a- dodecahydronaphtho[2,1-f]isoquinolin- 8-yl sulfamate | A | 3C7P | 0.7 | |
POS | 1-[[(4-PHENOXYPHENYL)SULFONYL]AMINO]- 3-[[N/N-(4-PYRIDINYLCARBONYL)-L- LEUCYL]AMINO]-2-PROPANOL | A | 1AU2 | 0.72 | |
893 | 5-CYANO-N-(2,5-DIMETHOXYBENZYL)- 6-ETHOXYPYRIDINE-2-CARBOXAMIDE | A,B | 2H96 | 0.71 | |
BQN | 4-{(2E)-3-[4-{[2-(pyridin-3-ylmethoxy)phenyl]sulfanyl}- 2,3-bis(trifluoromethyl)phenyl]prop- 2-enoyl}morpholine | B,C | 3BQN | 0.74 | |
320 | 2-(4-fluorophenyl)-N-{[3-fluoro- 4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide | A | 3CTJ | 0.7 | |
608 | N-(4-phenoxyphenyl)-2-[(pyridin- 4-ylmethyl)amino]nicotinamide | A,B | 2P2I | 0.72 | |
U73 | N-(5-ISOPROPYL-THIAZOL-2-YL)-2- PYRIDIN-3-YL-ACETAMIDE | A | 2BTR | 0.7 | |
KNI | (N-TERT-BUTYL-THIOPROLINE)-(5-ISOQUINOLYLOXYACETYL- METHYLTHIOALANINE)-ALLOPHENYLNORSTATINE | A,B | 3FX5 | 0.76 | |
| KNI | (N-TERT-BUTYL-THIOPROLINE)-(5-ISOQUINOLYLOXYACETYL- METHYLTHIOALANINE)-ALLOPHENYLNORSTATINE | B | 1HPX | 0.76 | |
| KNI | (N-TERT-BUTYL-THIOPROLINE)-(5-ISOQUINOLYLOXYACETYL- METHYLTHIOALANINE)-ALLOPHENYLNORSTATINE | B | 2ZYE | 0.76 | |
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 | |
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 | |
SDZ | 1-[2-HYDROXY-3-(4-CYCLOHEXYL-PHENOXY)- PROPYL]-4-(2-PYRIDYL)-PIPERAZINE | 1 | 1HRV | 0.73 | |
D1G | N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE | A,B,C,D | 2FDU | 0.72 | |
319 | N-({4-[(2-aminopyridin-4-yl)oxy]- 3-fluorophenyl}carbamoyl)-2-(4- fluorophenyl)acetamide | A | 3CTH | 0.74 | |
896 | N-ETHYL-N-ISOPROPYL-3-METHYL-5- {[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE | B,H | 2UUJ | 0.76 | |
D2G | N-METHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE | A,B,C,D | 2FDV | 0.7 | |