Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00049298
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 |
24X | H,L | 2EC9 | 0.71 | ||
DF1 | (2R)-1-[(5,6-DIPHENYL-7H-PYRROLO[2,3- D]PYRIMIDIN-4-YL)AMINO]PROPAN-2- OL | A | 2BRN | 0.71 | |
6IG | 6-ETHYL-5-[1-(3-METHOXYPROPYL)- 1,2,3,4-TETRAHYDROQUINOLIN-7-YL]- N~4~-(2-PHENYLETHYL)PYRIMIDINE- 2,4-DIAMINE | A,B | 2G22 | 0.7 | |
RB1 | 3-[(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4- D]PYRIMIDIN-3-YL)METHYL]PHENOL | A | 2PIQ | 0.73 | |
AB3 | 3-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4- D]PYRIMIDIN-3-YL)PHENOL | A | 3BHJ | 0.72 | |
AB3 | 3-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4- D]PYRIMIDIN-3-YL)PHENOL | A | 3BHM | 0.72 | |
AB3 | 3-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4- D]PYRIMIDIN-3-YL)PHENOL | A | 1WMA | 0.72 | |
DQU | 2,6-DIAMINO-3H-QUINAZOLIN-4-ONE | A | 1R5Y | 0.73 | |
DQU | 2,6-DIAMINO-3H-QUINAZOLIN-4-ONE | A | 1Q4W | 0.73 | |
IDD | (5R,6R,7S,8S)-5-(HYDROXYMETHYL)- 2-PHENYL-5,6,7,8-TETRAHYDROIMIDAZO[1,2- A]PYRIDINE-6,7,8-TRIOL | A | 1X38 | 0.72 | |
IDD | (5R,6R,7S,8S)-5-(HYDROXYMETHYL)- 2-PHENYL-5,6,7,8-TETRAHYDROIMIDAZO[1,2- A]PYRIDINE-6,7,8-TRIOL | A | 1LQ2 | 0.72 | |
SDZ | 1-[2-HYDROXY-3-(4-CYCLOHEXYL-PHENOXY)- PROPYL]-4-(2-PYRIDYL)-PIPERAZINE | 1 | 1HRV | 0.71 | |
FBI | 7-[4-(4-FLUORO-PHENYL)-6-ISOPROPYL- 2-(METHANESULFONYL-METHYL-AMINO)- PYRIMIDIN-5-YL] -3,5-DIHYDROXY- HEPTANOIC ACID | A,B,C,D | 1HWL | 0.71 | |
HET | 3-[2-(2-CYCLOPENTYL-6-{[4-(DIMETHYLPHOSPHORYL)PHENYL]AMINO}- 9H-PURIN-9-YL)ETHYL]PHENOL | A | 2BDJ | 0.7 | |
UI2 | 8-(PYRIMIDIN-2-YLAMINO)NAPHTHALENE- 2-CARBOXIMIDAMIDE | A | 1SQO | 0.7 | |
4RB | 4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2- b]pyridazin-3-yl)benzoic acid | A | 3BQR | 0.71 | |
977 | 2-AMINO-5-BROMO-6-PHENYLPYRIMIDIN- 4-OL | A | 1RSI | 0.72 | |
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 | 0.73 | |
AA2 | 4-ARYL-2-PHENYLAMINO PYRIMIDINE | A | 1OEC | 0.71 | |
S03 | 1-{4-[4-AMINO-5-(3-METHOXYPHENYL)- 7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL]BENZYL}PIPERIDIN- 4-OL | A,B | 1YOL | 0.74 | |
1BM | 3-{[2-(1H-BENZIMIDAZOL-1-YL)-6- {[2-(DIETHYLAMINO)ETHYL]AMINO}PYRIMIDIN- 4-YL]AMINO}-4-METHYLPHENOL | A | 2HK5 | 0.71 | |
ALH | 6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINE | A,B | 1UNG | 0.75 | |
L1B | 7-(2,4-DIAMINO-6-ETHYLPYRIMIDIN- 5-YL)-1-(3-METHOXYPROPYL)QUINOLINIUM | A,B | 2G21 | 0.76 | |
GGV | B | 3GGV | 0.7 | ||
SB5 | 4-(FLUOROPHENYL)-1-CYCLOPROPYLMETHYL- 5-(2-AMINO-4-PYRIMIDINYL)IMIDAZOLE | A | 1BMK | 0.71 | |
RW1 | 4-phenylpyrimidine | A,B,C | 3B9S | 0.78 | |
2SC | (5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5- a]pyrimidin-3-yl)methanol | A | 2R3O | 0.7 | |
IHX | 3-[3-(4-methylpiperazin-1-yl)-7- (trifluoromethyl)quinoxalin-5-yl]phenol | A,B | 3F66 | 0.72 | |
SB6 | 4-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL- 5-(4-PYRIDYL)-IMIDAZOLE | A | 1BL6 | 0.7 | |
PYI | 1-[(4-AMINO-2-METHYLPYRIMIDIN-5- YL)METHYL]-3-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)- 2-METHYLPYRIDINIUM | A,B | 2F17 | 0.74 | |
PYI | 1-[(4-AMINO-2-METHYLPYRIMIDIN-5- YL)METHYL]-3-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)- 2-METHYLPYRIDINIUM | A,B | 3D2V | 0.74 | |
N22 | 5-[3-(2,5-dimethoxyphenyl)prop- 1-yn-1-yl]-6-ethylpyrimidine-2,4- diamine | A | 3FQ0 | 0.7 | |
N22 | 5-[3-(2,5-dimethoxyphenyl)prop- 1-yn-1-yl]-6-ethylpyrimidine-2,4- diamine | A,B | 3E0B | 0.7 | |
N22 | 5-[3-(2,5-dimethoxyphenyl)prop- 1-yn-1-yl]-6-ethylpyrimidine-2,4- diamine | A | 2KGK | 0.7 | |
N22 | 5-[3-(2,5-dimethoxyphenyl)prop- 1-yn-1-yl]-6-ethylpyrimidine-2,4- diamine | A,B | 3CSE | 0.7 | |
N22 | 5-[3-(2,5-dimethoxyphenyl)prop- 1-yn-1-yl]-6-ethylpyrimidine-2,4- diamine | A | 3FQO | 0.7 | |
ABJ | 3-[4-AMINO-1-(1-METHYLETHYL)-1H- PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL | A | 3EN7 | 0.71 | |
ABJ | 3-[4-AMINO-1-(1-METHYLETHYL)-1H- PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL | A | 2V4L | 0.71 | |
S91 | [4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN- 2-YL}AMINO)PHENYL]ACETIC ACID | A | 2Z8C | 0.7 | |
S91 | [4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN- 2-YL}AMINO)PHENYL]ACETIC ACID | A | 2Z7L | 0.7 | |
RC8 | (2R)-2-({9-(1-methylethyl)-6-[(4- pyridin-2-ylbenzyl)amino]-9H-purin- 2-yl}amino)butan-1-ol | A,C | 3DDP | 0.73 | |
53R | 5-[(3R)-3-(5-methoxybiphenyl-3- yl)but-1-yn-1-yl]-6-methylpyrimidine- 2,4-diamine | X | 3F0B | 0.7 | |
53R | 5-[(3R)-3-(5-methoxybiphenyl-3- yl)but-1-yn-1-yl]-6-methylpyrimidine- 2,4-diamine | X | 3F0U | 0.7 | |
LIY | 6-ETHYL-5-[(2S)-1-(3-METHOXYPROPYL)- 2-PHENYL-1,2,3,4-TETRAHYDROQUINOLIN- 7-YL]PYRIMIDINE-2,4-DIAMINE | A,B | 2IKU | 0.71 | |
MOJ | (5E,7S)-2-amino-7-(4-fluoro-2-pyridin- 3-ylphenyl)-4-methyl-7,8-dihydroquinazolin- 5(6H)-one oxime | A | 3FT8 | 0.73 | |
218 | 1-[(4-AMINO-2-METHYLPYRIMIDIN-5- YL)METHYL]-3-(2-HYDROXYETHYL)-2- METHYLPYRIDINIUM | A | 2HOP | 0.79 | |
PZF | (3R,4S)-1-[6-(6-METHOXYPYRIDIN- 3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN- 3-AMINE | A,B | 2QJR | 0.73 | |
THW | C2-1-HYDROXYPHENYL-THIAMIN DIPHOSPHATE | A,B | 2BEW | 0.71 | |
89I | 5-[4-(DIMETHYLAMINO)PHENYL]-6-[(6- MORPHOLIN-4-YLPYRIDIN-3-YL)ETHYNYL]PYRIMIDIN- 4-AMINE | A,B | 2I6B | 0.73 | |
11F | 5-[(3S)-3-(2-methoxybiphenyl-4- yl)but-1-yn-1-yl]-6-methylpyrimidine- 2,4-diamine | A | 3FQV | 0.71 | |
11F | 5-[(3S)-3-(2-methoxybiphenyl-4- yl)but-1-yn-1-yl]-6-methylpyrimidine- 2,4-diamine | A | 3FQZ | 0.71 | |
985 | (2E)-3-{3-[6-(4-methyl-1,4-diazepan- 1-yl)pyrazin-2-yl]phenyl}prop-2- enoic acid | A | 3F2A | 0.71 | |
DH1 | 2,4-DIAMINO-5-[2-METHOXY-5-(4-CARBOXYBUTYLOXY)BENZYL]PYRIMIDINE | A | 2FZH | 0.71 | |
R1T | 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN- 5-YL)METHYL]-5-[(1R)-1-HYDROXYETHYL]- 3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE | A,B,C,D,E,G | 3DUF | 0.73 | |
R1T | 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN- 5-YL)METHYL]-5-[(1R)-1-HYDROXYETHYL]- 3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE | A,B | 2Q5L | 0.73 | |
R1T | 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN- 5-YL)METHYL]-5-[(1R)-1-HYDROXYETHYL]- 3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE | A,B | 2VBG | 0.73 | |
1HP | 4-(2-amino-1-methyl-1H-imidazo[4,5- b]pyridin-6-yl)phenol | A,B | 2QSE | 0.75 | |
S1T | 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN- 5-YL)METHYL]-5-[(1S)-1-HYDROXYETHYL]- 3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE | A,B | 2Q5L | 0.73 | |
2C5 | 2-CHLORO-5-(3-CHLORO-PHENYL)-6- [(4-CYANO-PHENYL)-(3-METHYL-3H- IMIDAZOL-4-YL)- METHOXYMETHYL]- NICOTINONITRILE | B | 1NI1 | 0.73 | |
CK9 | 2-{[(2-{[(1R)-1-(HYDROXYMETHYL)PROPYL]AMINO}- 9-ISOPROPYL-9H-PURIN-6-YL)AMINO]METHYL}PHENOL | X | 2A0C | 0.7 | |
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 | 0.7 | |
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 | 0.7 | |
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 | 0.7 | |
MXA | 6-(2,5-DIMETHOXY-BENZYL)-5-METHYL- PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE | A | 1U71 | 0.71 | |
MXA | 6-(2,5-DIMETHOXY-BENZYL)-5-METHYL- PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE | A | 1DLR | 0.71 | |
PYF | 3-PYRIDINYLCARBINOL | A,B | 1R16 | 0.71 | |
859 | 2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN- 4-YL}AMINO)BENZAMIDE | A,B | 2NO3 | 0.7 | |
Q22 | (4aS)-5-[(2,4-diaminopteridin-6- yl)methyl]-4a,5-dihydro-2H-dibenzo[b,f]azepin- 8-ol | A | 3D80 | 0.7 |