Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00838075
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 |
4HI | (3R,5R)-7-[4-(benzylcarbamoyl)- 2-(4-fluorophenyl)-5-(1-methylethyl)- 1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid | B,C,D | 3CCW | 0.73 | |
5HI | (3R,5R)-7-[2-(4-fluorophenyl)-4- {[(1S)-2-hydroxy-1-phenylethyl]carbamoyl}- 5-(1-methylethyl)-1H-imidazol-1- yl]-3,5-dihydroxyheptanoic acid | A,B,C,D | 3CCZ | 0.74 | |
DBG | 3-AMINOBENZOPHENONE-4-YL-AMINOHYDROXYPHOSPHINYLAMINOPHOSPHONIC ACID- GUANYLATE ESTER | A | 1RVD | 0.7 | |
DBG | 3-AMINOBENZOPHENONE-4-YL-AMINOHYDROXYPHOSPHINYLAMINOPHOSPHONIC ACID- GUANYLATE ESTER | A | 1CLU | 0.7 | |
CAG | A | 1GNQ | 0.71 | ||
CAG | A | 1PLJ | 0.71 | ||
CAG | X | 2EVW | 0.71 | ||
CAG | A | 1GNR | 0.71 | ||
CAG | X | 2CL6 | 0.71 | ||
8FG | N-(5'-PHOSPHO-2'-DEOXYGUANOSIN- 8-YL)-2-ACETYLAMINOFLUORENE | A,C,D | 1X9M | 0.71 | |
8C5 | 8-cyclohexyl-N-methoxy-5-oxo-2- {[4-(2-pyrrolidin-1-ylethyl)phenyl]amino}- 5,8-dihydropyrido[2,3-d]pyrimidine- 6-carboxamide | A | 3DPK | 0.71 | |
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 | 0.73 | |
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 | |
DX6 | 2-amino-5-(2-phenylethyl)-3,7-dihydro- 4H-pyrrolo[2,3-d]pyrimidin-4-one | A,B,C,D | 3BMH | 0.7 | |
BO2 | N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]- N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE | 2,H,K,N,V,Y | 2F16 | 0.71 | |
120 | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | B | 1GI7 | 0.71 | |
120 | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | H,I | 1GHV | 0.71 | |
120 | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | A | 1GHZ | 0.71 | |
AGN | A | 1GNP | 0.74 | ||
AAI | trans-4-(7-carbamoyl-1H-benzimidazol- 2-yl)-1-propylpiperidinium | A | 2RCW | 0.72 | |
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 | |
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 | 0.74 | |
BPG | 9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE | A,B | 1QHI | 0.83 | |
EMU | N-BENZYL-9H-PURIN-6-AMINE | A | 1W1S | 0.71 | |
FOL | FOLIC ACID | A | 1PJ6 | 0.74 | |
FOL | FOLIC ACID | A,B | 1RD7 | 0.74 | |
FOL | FOLIC ACID | A,B | 1DHF | 0.74 | |
FOL | FOLIC ACID | A,B,C,D,E | 1QZF | 0.74 | |
FOL | FOLIC ACID | A | 4CD2 | 0.74 | |
FOL | FOLIC ACID | A | 1RX7 | 0.74 | |
FOL | FOLIC ACID | A | 1RX2 | 0.74 | |
FOL | FOLIC ACID | A | 1RX8 | 0.74 | |
FOL | FOLIC ACID | A | 1RA2 | 0.74 | |
FOL | FOLIC ACID | A,B | 1RE7 | 0.74 | |
FOL | FOLIC ACID | A | 7DFR | 0.74 | |
FOL | FOLIC ACID | A | 1VIF | 0.74 | |
FOL | FOLIC ACID | A,B | 1RB2 | 0.74 | |
FOL | FOLIC ACID | A | 1CD2 | 0.74 | |
FOL | FOLIC ACID | A | 2CD2 | 0.74 | |
FOL | FOLIC ACID | A,B | 1DYI | 0.74 | |
FOL | FOLIC ACID | A | 1DRF | 0.74 | |
FOL | FOLIC ACID | A,B,C,D | 3BMC | 0.74 | |
FOL | FOLIC ACID | A,B | 2D0K | 0.74 | |
FOL | FOLIC ACID | A | 1RA8 | 0.74 | |
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 |