Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01749142
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 |
U66 | (20S)-19,20,22,23-TETRAHYDRO-19- OXO-5H,21H-18,20-ETHANO-12,14-ETHENO- 6,10-METHENOBENZ[D]IMIDAZO[4,3- L][1,6,9,13]OXATRIAZACYCLONOADECOSINE- 9-CARBONITRILE | B | 1LD7 | 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 | 0.72 | |
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 | 0.72 | |
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 | 0.72 | |
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 | 0.72 | |
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 | 0.75 | |
PU0 | 9-BUTYL-8-(2,5-DIMETHOXY-BENZYL)- 2-FLUORO-9H-PURIN-6-YLAMINE | A | 1UYH | 0.71 | |
215 | (1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}- 5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN- 1-ONE OXIME | A,B | 2FB8 | 0.71 | |
228 | N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]- 1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN- 4-YL]-D-PROLINAMIDE | A | 2ORO | 0.71 | |
PU4 | 9-BUTYL-8-(4-METHOXYBENZYL)-9H- PURIN-6-AMINE | A | 1UY7 | 0.74 | |
PU5 | 9-BUTYL-8-(3-METHOXYBENZYL)-9H- PURIN-6-AMINE | A | 1UY8 | 0.72 | |
E89 | 6-AMINO-4-[2-(4-METHOXYPHENYL)ETHYL]- 1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN- 8-ONE | A,D | 1Y5X | 0.7 | |
G98 | 4-[2-(4-amino-2,5-dihydro-1,2,5- oxadiazol-3-yl)-6-{[(1S)-3-amino- 1-phenylpropyl]oxy}-1-ethyl-1H- imidazo[4,5-c]pyridin-4-yl]-2-methylbut- 3-en-2-ol | A,B,E,I,L,P | 3E8E | 0.7 | |
G98 | 4-[2-(4-amino-2,5-dihydro-1,2,5- oxadiazol-3-yl)-6-{[(1S)-3-amino- 1-phenylpropyl]oxy}-1-ethyl-1H- imidazo[4,5-c]pyridin-4-yl]-2-methylbut- 3-en-2-ol | A,B | 3E8D | 0.7 | |
608 | N-(4-phenoxyphenyl)-2-[(pyridin- 4-ylmethyl)amino]nicotinamide | A,B | 2P2I | 0.7 | |
BZC | A | 1EFY | 0.72 | ||
PU7 | 9-BUTYL-8-(2,5-DIMETHOXY-BENZYL)- 9H-PURIN-6-YLAMINE | A | 1UYC | 0.71 | |
FRC | 1-{(1R,2S)-2-HYDROXY-1-[2-(2-NAPHTHYLOXY)ETHYL]PROPYL}- 1H-IMIDAZONE-4-CARBOXAMIDE | A | 1V7A | 0.78 | |
3HT | 5-[1-(4-methoxyphenyl)-1H-benzimidazol- 6-yl]-1,3,4-oxadiazole-2(3H)-thione | A,B | 3F88 | 0.7 | |
3P4 | 5-[2-(BUT-3-EN-1-YLOXY)-5-(1-HYDROXYVINYL)PYRIDIN- 3-YL]-3-ETHYL-2-(1-ETHYLAZETIDIN- 3-YL)-1,2,6,7A-TETRAHYDRO-7H-PYRAZOLO[4,3- D]PYRIMIDIN-7-ONE | A | 2CHM | 0.72 | |
VDN | 2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN- 1-YL)SULFONYL]PHENYL}-5-METHYL- 7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN- 4(1H)-ONE | A | 1XP0 | 0.84 | |
VDN | 2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN- 1-YL)SULFONYL]PHENYL}-5-METHYL- 7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN- 4(1H)-ONE | A,B | 3B2R | 0.84 | |
VDN | 2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN- 1-YL)SULFONYL]PHENYL}-5-METHYL- 7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN- 4(1H)-ONE | A,B | 1XOT | 0.84 | |
VDN | 2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN- 1-YL)SULFONYL]PHENYL}-5-METHYL- 7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN- 4(1H)-ONE | A | 1UHO | 0.84 |