Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02169785
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 |
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 | 0.74 | |
DF1 | (2R)-1-[(5,6-DIPHENYL-7H-PYRROLO[2,3- D]PYRIMIDIN-4-YL)AMINO]PROPAN-2- OL | A | 2BRN | 0.71 | |
3DD | (2R,3R)-4-(4-AMINO-1H-IMIDAZO[4,5- C]PYRIDIN-1-YL)-2,3-DIHYDROXYBUTANOIC ACID | A,B,C,D,E,F, G,H | 2H5L | 0.71 | |
C24 | 3-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)- METHYL]-3-METHYL-3H-BENZOIMIDAZOLE- 5-CARBONYL}-PYRIDIN-2-YL-AMINO)- PROPIONIC ACID ETHYL ESTER | B,C | 1KTS | 0.73 | |
8FG | N-(5'-PHOSPHO-2'-DEOXYGUANOSIN- 8-YL)-2-ACETYLAMINOFLUORENE | A,C,D | 1X9M | 0.71 | |
AD5 | N~6~-cyclohexyl-N~2~-(4-morpholin- 4-ylphenyl)-9H-purine-2,6-diamine | A,B | 2VGO | 0.77 | |
199 | N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]- 1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE | A | 1ZYS | 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 | 0.79 | |
BPG | 9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE | A,B | 1QHI | 0.86 | |
CF2 | 2'-deoxy-5'-O-{[2-(7,8-dimethyl- 2,4-dioxo-3,4-dihydrobenzo[g]pteridin- 10(2H)-yl)ethyl]carbamoyl}guanosine | A | 2VKF | 0.74 | |
3IN | N-[2(S)-CYCLOPENTYL-1(R)-HYDROXY- 3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO- CARBONYL)-4-(N1-(2)-(N-METHYLPIPERAZINYL)- 3-CHLORO-PYRAZINYL-5-CARBONYL)- PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL- PENTANAMIDE | B | 2BPZ | 0.71 | |
3IN | N-[2(S)-CYCLOPENTYL-1(R)-HYDROXY- 3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO- CARBONYL)-4-(N1-(2)-(N-METHYLPIPERAZINYL)- 3-CHLORO-PYRAZINYL-5-CARBONYL)- PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL- PENTANAMIDE | B | 2BPY | 0.71 | |
3IN | N-[2(S)-CYCLOPENTYL-1(R)-HYDROXY- 3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO- CARBONYL)-4-(N1-(2)-(N-METHYLPIPERAZINYL)- 3-CHLORO-PYRAZINYL-5-CARBONYL)- PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL- PENTANAMIDE | B | 1C6X | 0.71 | |
AP9 | (2S)-2-({6-[(3-AMINO-5-CHLOROPHENYL)AMINO]- 9-ISOPROPYL-9H-PURIN-2-YL}AMINO)- 3-METHYLBUTAN-1-OL | B | 2F2C | 0.75 | |
23D | N2-[(1R,2S)-2-AMINOCYCLOHEXYL]- N6-(3-CHLOROPHENYL)-9-ETHYL-9H- PURINE-2,6-DIAMINE | A | 2IZT | 0.72 | |
23D | N2-[(1R,2S)-2-AMINOCYCLOHEXYL]- N6-(3-CHLOROPHENYL)-9-ETHYL-9H- PURINE-2,6-DIAMINE | A | 2CDZ | 0.72 | |
23D | N2-[(1R,2S)-2-AMINOCYCLOHEXYL]- N6-(3-CHLOROPHENYL)-9-ETHYL-9H- PURINE-2,6-DIAMINE | A,B | 2F57 | 0.72 | |
FOL | FOLIC ACID | A | 1PJ6 | 0.7 | |
FOL | FOLIC ACID | A,B | 1RD7 | 0.7 | |
FOL | FOLIC ACID | A,B | 1DHF | 0.7 | |
FOL | FOLIC ACID | A,B,C,D,E | 1QZF | 0.7 | |
FOL | FOLIC ACID | A | 4CD2 | 0.7 | |
FOL | FOLIC ACID | A | 1RX7 | 0.7 | |
FOL | FOLIC ACID | A | 1RX2 | 0.7 | |
FOL | FOLIC ACID | A | 1RX8 | 0.7 | |
FOL | FOLIC ACID | A | 1RA2 | 0.7 | |
FOL | FOLIC ACID | A,B | 1RE7 | 0.7 | |
FOL | FOLIC ACID | A | 7DFR | 0.7 | |
FOL | FOLIC ACID | A | 1VIF | 0.7 | |
FOL | FOLIC ACID | A,B | 1RB2 | 0.7 | |
FOL | FOLIC ACID | A | 1CD2 | 0.7 | |
FOL | FOLIC ACID | A | 2CD2 | 0.7 | |
FOL | FOLIC ACID | A,B | 1DYI | 0.7 | |
FOL | FOLIC ACID | A | 1DRF | 0.7 | |
FOL | FOLIC ACID | A,B,C,D | 3BMC | 0.7 | |
FOL | FOLIC ACID | A,B | 2D0K | 0.7 | |
FOL | FOLIC ACID | A | 1RA8 | 0.7 | |
24A | {[(4-{[2-(4-AMINOCYCLOHEXYL)-9- ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACID | A,B | 2BDF | 0.72 | |
FAO | A,B | 2JBV | 0.72 | ||
AAI | trans-4-(7-carbamoyl-1H-benzimidazol- 2-yl)-1-propylpiperidinium | A | 2RCW | 0.71 | |
685 | 2-{2-[(3,5-dimethylphenyl)amino]pyrimidin- 4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]- 4-methyl-1,3-thiazole-5-carboxamide | A | 3EMG | 0.7 | |
BMI | 3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL- 1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN- 2-YLMETHYL)AMINO]PYRIDIN-2(1H)- ONE | A | 2OJ9 | 0.72 |