Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02031130
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 |
TSX | N-[4-(1-ALLYL-3-BUTYL-2,6-DIOXO- 2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL)- PHENYL]-ACETAMIDE | A | 1M51 | 0.82 | |
YE7 | IMIDAZO[2,1-A]ISOQUINOLINE-2-CARBOHYDRAZIDE | A | 2P98 | 0.74 | |
FR9 | 1-[(1R)-3-(6-{[(BENZYLAMINO)CARBONYL]AMINO}- 1H-INDOL-1-YL)-1-(HYDROXYMETHYL)PROPYL]- 1H-IMIDAZOLE-4-CARBOXAMIDE | A | 1O5R | 0.7 | |
BPG | 9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE | A,B | 1QHI | 0.74 | |
I24 | 2-butoxy-9-(2,6-difluorobenzyl)- N-(2-morpholin-4-ylethyl)-9H-purin- 6-amine | A,B | 2VVT | 0.73 | |
GDV | (5R,6R,7R,8S)-8-(ACETYLAMINO)-6,7- DIHYDROXY-5-(HYDROXYMETHYL)-N-PHENYL- 1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2- A]PYRIDINE-2-CARBOXAMIDE | A | 2J47 | 0.7 | |
OLO | OLOMOUCINE | A | 4ERK | 0.72 | |
OLO | OLOMOUCINE | C | 1W0X | 0.72 | |
RRC | R-ROSCOVITINE | A,B,C,D | 3DDQ | 0.71 | |
RRC | R-ROSCOVITINE | A | 1YGK | 0.71 | |
RRC | R-ROSCOVITINE | A | 1UNL | 0.71 | |
RRC | R-ROSCOVITINE | A | 2A4L | 0.71 | |
FR2 | 1-((1R)-1-(HYDROXYMETHYL)-3-PHENYLPROPYL)- 1H-IMIDAZOLE-4-CARBOXAMIDE | A | 1NDW | 0.72 | |
FXG | N-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamide | A | 3DAJ | 0.71 | |
MGQ | 7-BENZYL GUANINE MONOPHOSPHATE | A,E | 2V8X | 0.72 | |
C24 | 3-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)- METHYL]-3-METHYL-3H-BENZOIMIDAZOLE- 5-CARBONYL}-PYRIDIN-2-YL-AMINO)- PROPIONIC ACID ETHYL ESTER | B,C | 1KTS | 0.72 | |
MGV | P-FLUORO-7-BENZYL GUANINE MONOPHOSPHATE | A,E | 2V8Y | 0.73 | |
UN8 | N-(4-{[3-BUTYL-1-(2-FLUOROBENZYL)- 2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H- PURIN-8-YL]METHYL}PHENYL)-1-METHYL- 1H-IMIDAZOLE-4-SULFONAMIDE | A,B | 2GMV | 0.75 | |
N31 | N-[3-(1H-benzimidazol-1-yl)propanoyl]glycyl- L-alanyl-L-alaninamide | A | 3EXB | 0.71 | |
356 | 8-[(3R)-3-Aminopiperidin-1-yl]- 7-but-2-yn-1-yl-3-methyl-1-[(4- methylquinazolin-2-yl)methyl]-3,7- dihydro-1H-purine-2,6-dione | A,B | 2RGU | 0.76 | |
LGF | 1-[(3AR)-5-{[3-(2,4-DIFLUOROPHENYL)- 5,6-DIHYDROIMIDAZO[1,5-A]PYRAZIN- 7(8H)-YL]CARBONYL}-6-METHOXY-3AH- PYRROLO[2,3-B]PYRIDIN-3-YL]-2-[(3R)- 3-HYDROXYPYRROLIDIN-1-YL]-2-OXOETHANONE | A | 2QD9 | 0.75 | |
AM9 | 6-(2,6-dimethylphenyl)-2-{[4-(4- methylpiperazin-1-yl)phenyl]amino}pyrimido[5',4':5,6]pyrimido[1,2- a]benzimidazol-5(6H)-one | A | 3BYO | 0.7 | |
LIR | 2-[(3S)-3-AMINOPIPERIDIN-1-YL]- 1-(2-CYANOBENZYL)-5-METHYL-4,6- DIOXO-3,4,5,6-TETRAHYDROPYRROLO[3,4- D]IMIDAZOL-1-IUM | A | 2I3Z | 0.76 | |
RMC | (2R)-2-({6-[BENZYL(METHYL)AMINO]- 9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN- 1-OL | A | 1YGJ | 0.71 | |
SC3 | 7-BENZYL-1,3-DIMETHYL-8-PIPERAZIN- 1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE | A,B,C,D | 2AJ8 | 0.86 | |
AAI | trans-4-(7-carbamoyl-1H-benzimidazol- 2-yl)-1-propylpiperidinium | A | 2RCW | 0.71 | |
4HI | (3R,5R)-7-[4-(benzylcarbamoyl)- 2-(4-fluorophenyl)-5-(1-methylethyl)- 1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid | B,C,D | 3CCW | 0.71 | |
XIH | 2-({8-[(3R)-3-AMINOPIPERIDIN-1- YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6- TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE | A | 2GBI | 0.82 | |
I19 | N-(4-{[(3S)-3-(dimethylamino)pyrrolidin- 1-yl]carbonyl}phenyl)-5-fluoro- 4-[2-methyl-1-(1-methylethyl)-1H- imidazol-5-yl]pyrimidin-2-amine | A | 2W17 | 0.71 | |
FTB | N-{4-[1-(2-FLUOROBENZYL)-3-BUTYL- 2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H- PURIN-8-YLMETHYL]-PHENYL}-ACETAMIDE | A | 1NHX | 0.82 | |
PM1 | [2-AMINO-6-(2,6-DIFLUORO-BENZOYL)- IMIDAZO[1,2-A]PYRIDIN-3-YL]-PHENYL- METHANONE | A | 1PYE | 0.74 |