Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02029125
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 |
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 | 0.73 | |
HDT | 4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN- 2-YL)AMINO]BENZENESULFONAMIDE | A | 1OIT | 0.71 | |
HDY | 1-(DIMETHYLAMINO)-3-(4-{{4-(2-METHYLIMIDAZO[1,2- A]PYRIDIN-3-YL)PYRIMIDIN-2-YL]AMINO}PHENOXY)PROPAN- 2-OL | A | 1OIR | 0.75 | |
IHI | 9-CYCLOPENTYL-6-[2-(3-IMIDAZOL- 1-YL-PROPOXY)-PHENYLAMINO]-9H-PURINE- 2-CARBONITRILE | A | 1U9W | 0.73 | |
5OB | 5-METHOXYBENZIMIDAZOLE | A | 1JHP | 0.72 | |
IHJ | 9-CYCLOPENTYL-6-{2-[3-(4-METHYL- PIPERAZIN-1-YL)-PROPOXY]-PHENYLAMINO}- 9H-PURINE-2-CARBONITRILE | A | 1U9X | 0.71 | |
PU7 | 9-BUTYL-8-(2,5-DIMETHOXY-BENZYL)- 9H-PURIN-6-YLAMINE | A | 1UYC | 0.72 | |
LIE | 2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)- 9-ISOPROPYL-9H-PURIN-8-AMINE | A | 2GTN | 0.76 | |
PU0 | 9-BUTYL-8-(2,5-DIMETHOXY-BENZYL)- 2-FLUORO-9H-PURIN-6-YLAMINE | A | 1UYH | 0.7 | |
PU4 | 9-BUTYL-8-(4-METHOXYBENZYL)-9H- PURIN-6-AMINE | A | 1UY7 | 0.75 | |
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 | 0.72 | |
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,B | 3B2R | 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,B | 1XOT | 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 | 1UHO | 0.72 | |
H71 | 8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]- 9-[3-(ISOPROPYLAMINO)PROPYL]-9H- PURIN-6-AMINE | A | 2FWZ | 0.72 | |
FRT | N-(2-METHOXYETHYL)-4-({4-[2-METHYL- 1-(1-METHYLETHYL)-1H-IMIDAZOL-5- YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE | A | 2W05 | 0.75 | |
PZF | (3R,4S)-1-[6-(6-METHOXYPYRIDIN- 3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN- 3-AMINE | A,B | 2QJR | 0.7 | |
BII | 2-{[5-CHLORO-2-({(1E,4R)-2-METHOXY- 4-[(3R)-3-(METHYLAMINO)PYRROLIDIN- 1-YL]CYCLOHEXA-2,5-DIEN-1-YLIDENE}AMINO)PYRIMIDIN- 4-YL]AMINO}-N-(1-METHYLETHYL)BENZENESULFONAMIDE | A | 2JKM | 0.7 | |
PU5 | 9-BUTYL-8-(3-METHOXYBENZYL)-9H- PURIN-6-AMINE | A | 1UY8 | 0.73 | |
FRV | 4-{[4-(1-CYCLOPROPYL-2-METHYL-1H- IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}- N-METHYLBENZENESULFONAMIDE | A | 2W06 | 0.73 |