Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01535028
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 |
2FR | 3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}- 1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide | A | 3DBC | 0.71 | |
AIZ | 3-{6-[(2-CHLOROPHENYL)AMINO]-1H- INDAZOL-3-YL}-5-{[4-(DIMETHYLAMINO)BUTANOYL]AMINO}BENZOIC ACID | A | 2B1P | 0.7 | |
3FR | 3'-chloro-5'-(3-methyl-6-{[(1S)- 1-phenylethyl]amino}-1H-pyrazolo[4,3- c]pyridin-1-yl)biphenyl-2-carboxamide | A | 3DBD | 0.77 | |
DZO | 3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5- a]pyrimidin-5-amine | A | 3E7V | 0.71 | |
48B | 2-chloro-N-[4-({5-fluoro-2-[(4- hydroxyphenyl)amino]pyrimidin-4- yl}amino)phenyl]benzamide | A | 3H0Y | 0.73 | |
A96 | 6-chloro-N-pyrimidin-5-yl-3-{[3- (trifluoromethyl)phenyl]amino}- 1,2-benzisoxazole-7-carboxamide | A,B | 3DTW | 0.7 | |
S91 | [4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN- 2-YL}AMINO)PHENYL]ACETIC ACID | A | 2Z8C | 0.72 | |
S91 | [4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN- 2-YL}AMINO)PHENYL]ACETIC ACID | A | 2Z7L | 0.72 | |
5FR | 4-({1-[3-(3-amino-3-oxopropyl)- 5-chlorophenyl]-3-methyl-1H-pyrazolo[4,3- c]pyridin-6-yl}amino)-3-methoxy- N-(1-methylpiperidin-4-yl)benzamide | A | 3DBF | 0.72 | |
PP2 | 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)- 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE | A,B | 3GEQ | 0.7 | |
PP2 | 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)- 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE | A | 2ZV9 | 0.7 | |
PP2 | 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)- 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE | A | 1QPE | 0.7 | |
SX7 | 2-amino-5-[3-(1-ethyl-1H-pyrazol- 5-yl)-1H-pyrrolo[2,3-b]pyridin- 5-yl]-N,N-dimethylbenzamide | A,B | 3DK3 | 0.72 | |
SX7 | 2-amino-5-[3-(1-ethyl-1H-pyrazol- 5-yl)-1H-pyrrolo[2,3-b]pyridin- 5-yl]-N,N-dimethylbenzamide | A,B | 3DK7 | 0.72 | |
SX7 | 2-amino-5-[3-(1-ethyl-1H-pyrazol- 5-yl)-1H-pyrrolo[2,3-b]pyridin- 5-yl]-N,N-dimethylbenzamide | A,B | 3DK6 | 0.72 | |
4FR | 3'-chloro-5'-[6-({2-methoxy-4-[(1- methylpiperidin-4-yl)carbamoyl]phenyl}amino)- 3-methyl-1H-pyrazolo[4,3-c]pyridin- 1-yl]biphenyl-2-carboxamide | A | 3DBE | 0.71 | |
GMG | [4-(5-naphthalen-2-yl-1H-pyrrolo[2,3- b]pyridin-3-yl)phenyl]acetic acid | A | 3HDN | 0.71 | |
N4D | N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4- d]pyrimidin-4-yl)amino]benzamide | A | 3CG2 | 0.76 | |
45P | 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5- D]PYRIMIDIN-2-YL)-N-(3,5-DICHLOROBENZYL)- BENZAMIDE | A | 1RS4 | 0.73 | |
RB1 | 3-[(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4- D]PYRIMIDIN-3-YL)METHYL]PHENOL | A | 2PIQ | 0.72 | |
73Q | 6-CHLORO-9-HYDROXY-1,3-DIMETHYL- 1,9-DIHYDRO-4H-PYRAZOLO[3,4-B]QUINOLIN- 4-ONE | A,B | 2G01 | 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 | |
PLB | 2-[(2,4-DICHLOROBENZOYL)AMINO]- 5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID | A,D | 3DZU | 0.72 | |
PLB | 2-[(2,4-DICHLOROBENZOYL)AMINO]- 5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID | B | 2Q6S | 0.72 | |
PLB | 2-[(2,4-DICHLOROBENZOYL)AMINO]- 5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID | X | 1WM0 | 0.72 | |
VX1 | 4-[3-(4-chlorophenyl)-2,1-benzisoxazol- 5-yl]pyrimidin-2-amine | A | 3BGP | 0.74 | |
ABJ | 3-[4-AMINO-1-(1-METHYLETHYL)-1H- PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL | A | 3EN7 | 0.74 | |
ABJ | 3-[4-AMINO-1-(1-METHYLETHYL)-1H- PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL | A | 2V4L | 0.74 | |
1FR | 3-[3-chloro-5-(5-{[(1S)-1-phenylethyl]amino}isoxazolo[5,4- c]pyridin-3-yl)phenyl]propan-1- ol | A | 3DB8 | 0.73 | |
238 | A | 2PRH | 0.7 | ||
CCK | [1-(6-{6-[(1-methylethyl)amino]- 1H-indazol-1-yl}pyrazin-2-yl)-1H- pyrrol-3-yl]acetic acid | X | 3E3B | 0.72 | |
A45 | 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5- D]PYRIMIDIN-2-YL)-BENZOIC ACID | A | 1RRI | 0.75 | |
COP | N-(4-CARBOXY-4-{4-[(2,4-DIAMINO- PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}- BUTYL)-PHTHALAMIC ACID | A | 1OHJ | 0.7 | |
COP | N-(4-CARBOXY-4-{4-[(2,4-DIAMINO- PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}- BUTYL)-PHTHALAMIC ACID | A | 1OHK | 0.7 | |
P16 | 6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}- 8-METHYLPYRIDO[2,3-D]PYRIMIDIN- 7(8H)-ONE | A | 2FO0 | 0.73 | |
P16 | 6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}- 8-METHYLPYRIDO[2,3-D]PYRIMIDIN- 7(8H)-ONE | A | 1OPK | 0.73 | |
P16 | 6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}- 8-METHYLPYRIDO[2,3-D]PYRIMIDIN- 7(8H)-ONE | A,B | 1OPL | 0.73 | |
P16 | 6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}- 8-METHYLPYRIDO[2,3-D]PYRIMIDIN- 7(8H)-ONE | A,B | 2G2H | 0.73 | |
PVB | PURVALANOL | A | 1CKP | 0.74 | |
PVB | PURVALANOL | A,B | 1V0P | 0.74 | |
20A | 1-ethyl-N-(phenylmethyl)-4-(tetrahydro- 2H-pyran-4-ylamino)-1H-pyrazolo[3,4- b]pyridine-5-carboxamide | A | 3D3P | 0.71 | |
4RB | 4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2- b]pyridazin-3-yl)benzoic acid | A | 3BQR | 0.78 | |
MMG | 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin- 3-yl)benzoic acid | A | 3HDM | 0.79 | |
24X | H,L | 2EC9 | 0.72 | ||
003 | 5-METHYL-7-(2-METHYLPROPYL)-2-(NAPHTHALEN- 1-YLMETHYL)-3-PYRIDIN-4-YL-2H-PYRAZOLO[3,4- D]PYRIMIDINE-4,6(5H,7H)-DIONE | A,B | 2JFZ | 0.71 | |
AG0 | (6R)-6-cyclopentyl-6-[2-(2,6-diethylpyridin- 4-yl)ethyl]-3-[(5,7-dimethyl[1,2,4]triazolo[1,5- a]pyrimidin-2-yl)methyl]-4-hydroxy- 5,6-dihydro-2H-pyran-2-one | A | 3FRZ | 0.71 | |
L1C | (2R,4S)-N^1^-(4-chlorophenyl)-4- (2,4-difluorophenyl)-4-hydroxy- N^2^-(2-oxo-2H-1,3'-bipyridin-6'- yl)pyrrolidine-1,2-dicarboxamide | A | 2W3I | 0.71 | |
TRN | NZ2-TRYPTOPHAN | A,B,C | 1AM7 | 0.7 | |
GPB | N-[4-[2-(2-AMINO-4-METHYL-7H-PYRROLO[2,3- D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]GLUTAMIC ACID | A | 1E26 | 0.72 |