Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01560471
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 |
THW | C2-1-HYDROXYPHENYL-THIAMIN DIPHOSPHATE | A,B | 2BEW | 0.72 | |
PFE | {4-[3-(6,7-DIETHOXY-QUINAZOLIN- 4-YLAMINO)-PHENYL]-THIAZOL-2-YL}- METHANOL | A,F | 1KZ8 | 0.7 | |
8PA | 3-[(4-amino-2-methylpyrimidin-5- yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)- 2-[(1S,2E)-1-hydroxy-3-pyridin- 3-ylprop-2-en-1-yl]-4-methyl-1,3- thiazol-3-ium | X | 3F6E | 0.71 | |
8PA | 3-[(4-amino-2-methylpyrimidin-5- yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)- 2-[(1S,2E)-1-hydroxy-3-pyridin- 3-ylprop-2-en-1-yl]-4-methyl-1,3- thiazol-3-ium | X | 3F6B | 0.71 | |
JN5 | (2S)-1,3-benzothiazol-2-yl{2-[(2- pyridin-3-ylethyl)amino]pyrimidin- 4-yl}ethanenitrile | A | 3CY3 | 0.7 | |
ALH | 6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINE | A,B | 1UNG | 0.73 | |
VAR | 9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2- c]pyrimidin-4-ol | A,B,C,D | 3BHV | 0.77 | |
HET | 3-[2-(2-CYCLOPENTYL-6-{[4-(DIMETHYLPHOSPHORYL)PHENYL]AMINO}- 9H-PURIN-9-YL)ETHYL]PHENOL | A | 2BDJ | 0.74 | |
RB1 | 3-[(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4- D]PYRIMIDIN-3-YL)METHYL]PHENOL | A | 2PIQ | 0.72 | |
AB3 | 3-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4- D]PYRIMIDIN-3-YL)PHENOL | A | 3BHJ | 0.73 | |
AB3 | 3-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4- D]PYRIMIDIN-3-YL)PHENOL | A | 3BHM | 0.73 | |
AB3 | 3-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4- D]PYRIMIDIN-3-YL)PHENOL | A | 1WMA | 0.73 | |
S03 | 1-{4-[4-AMINO-5-(3-METHOXYPHENYL)- 7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL]BENZYL}PIPERIDIN- 4-OL | A,B | 1YOL | 0.73 | |
CK6 | 4-[4-(4-METHYL-2-METHYLAMINO-THIAZOL- 5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL | A | 1PXN | 0.79 | |
1BM | 3-{[2-(1H-BENZIMIDAZOL-1-YL)-6- {[2-(DIETHYLAMINO)ETHYL]AMINO}PYRIMIDIN- 4-YL]AMINO}-4-METHYLPHENOL | A | 2HK5 | 0.75 | |
CK9 | 2-{[(2-{[(1R)-1-(HYDROXYMETHYL)PROPYL]AMINO}- 9-ISOPROPYL-9H-PURIN-6-YL)AMINO]METHYL}PHENOL | X | 2A0C | 0.73 | |
RO2 | 3-[5-[5-(4-METHYL-PIPERAZIN-1-YL)- 1H-IMIDAZO[4,5-B]PYRIDIN-2-YL]- BENZIMIDAZOL-2-YL]-PHENOL | A | 303D | 0.72 | |
RO2 | 3-[5-[5-(4-METHYL-PIPERAZIN-1-YL)- 1H-IMIDAZO[4,5-B]PYRIDIN-2-YL]- BENZIMIDAZOL-2-YL]-PHENOL | A | 302D | 0.72 | |
CK5 | 3-[4-(2,4-DIMETHYL-THIAZOL-5-YL)- PYRIMIDIN-2-YLAMINO]-PHENOL | A | 1PXM | 0.77 | |
S22 | 1-(4-(4-(2-(isopropylsulfonyl)phenylamino)- 1H-pyrrolo[2,3-b]pyridin-6-ylamino)- 3-methoxyphenyl)piperidin-4-ol | A | 3GFW | 0.7 | |
GW7 | N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}- 6-ethylthieno[3,2-d]pyrimidin-4- amine | A,B | 2R4B | 0.72 | |
Q22 | (4aS)-5-[(2,4-diaminopteridin-6- yl)methyl]-4a,5-dihydro-2H-dibenzo[b,f]azepin- 8-ol | A | 3D80 | 0.75 | |
TFL | 2-[4-(DIMETHYLAMINO)PHENYL]-6-HYDROXY- 3-METHYL-1,3-BENZOTHIAZOL-3-IUM | A | 2J3Q | 0.75 | |
ABJ | 3-[4-AMINO-1-(1-METHYLETHYL)-1H- PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL | A | 3EN7 | 0.72 | |
ABJ | 3-[4-AMINO-1-(1-METHYLETHYL)-1H- PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL | A | 2V4L | 0.72 | |
PRD | N6-(2,5-DIMETHOXY-BENZYL)-N6-METHYL- PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE | A | 1BOZ | 0.71 | |
D7K | 3-[(4-amino-2-methylpyrimidin-5- yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}- 5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)- 4-methyl-1,3-thiazol-3-ium | A,B,C,D | 3FZN | 0.72 | |
D7K | 3-[(4-amino-2-methylpyrimidin-5- yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}- 5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)- 4-methyl-1,3-thiazol-3-ium | A,B | 3D7K | 0.72 | |
D7K | 3-[(4-amino-2-methylpyrimidin-5- yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}- 5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)- 4-methyl-1,3-thiazol-3-ium | X | 3FSJ | 0.72 | |
1HP | 4-(2-amino-1-methyl-1H-imidazo[4,5- b]pyridin-6-yl)phenol | A,B | 2QSE | 0.74 | |
PU4 | 9-BUTYL-8-(4-METHOXYBENZYL)-9H- PURIN-6-AMINE | A | 1UY7 | 0.7 |