Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02589527
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 | |
A3D | 3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE | A,B,C,D | 1PZG | 0.74 | |
A3D | 3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE | A | 1DRV | 0.74 | |
A3D | 3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE | A,B | 2EWD | 0.74 | |
A3D | 3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE | A,B,C,D | 1PZF | 0.74 | |
ABR | (R)-(N-PHENYL-2-HYDROXY-ETHYL)- 2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE | A | 1K5E | 0.7 | |
146 | [4R-(4ALPHA,5ALPHA,6ALPHA,7ALPHA)]- 3,3'-{{TETRAHYDRO-5,6-DIHYDROXY- 2-OXO-4,7-BIS(PHENYLMETHYL)-1H- 1,3-DIAZEPINE-1,3(2H)-DIYL]BIS(METHYLENE)]BIS[N- 1H-BENZIMIDAZOL-2-YLBENZAMIDE] | B | 1QBT | 0.71 | |
146 | [4R-(4ALPHA,5ALPHA,6ALPHA,7ALPHA)]- 3,3'-{{TETRAHYDRO-5,6-DIHYDROXY- 2-OXO-4,7-BIS(PHENYLMETHYL)-1H- 1,3-DIAZEPINE-1,3(2H)-DIYL]BIS(METHYLENE)]BIS[N- 1H-BENZIMIDAZOL-2-YLBENZAMIDE] | B | 1BWB | 0.71 | |
CNA | CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE | A,B | 1SZC | 0.74 | |
CNA | CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE | A | 1A26 | 0.74 | |
CNA | CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE | A,B | 2OD2 | 0.74 | |
AGN | A | 1GNP | 0.77 | ||
CAG | A | 1GNQ | 0.76 | ||
CAG | A | 1PLJ | 0.76 | ||
CAG | X | 2EVW | 0.76 | ||
CAG | A | 1GNR | 0.76 | ||
CAG | X | 2CL6 | 0.76 | ||
CND | 5-BETA-D-RIBOFURANOSYLNICOTINAMIDE ADENINE DINUCLEOTIDE | A,B | 1ADB | 0.72 | |
1DG | (4R)-ISONICOTINIC-ACETYL-NICOTINAMIDE- ADENINE DINUCLEOTIDE | A | 2CIG | 0.77 | |
8FG | N-(5'-PHOSPHO-2'-DEOXYGUANOSIN- 8-YL)-2-ACETYLAMINOFLUORENE | A,C,D | 1X9M | 0.82 | |
BPG | 9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE | A,B | 1QHI | 0.72 | |
3BK | (2R,3R,4S,5R)-2-[6-amino-8-[(3,4- dichlorophenyl)methylamino]purin- 9-yl]-5-(hydroxymethyl)oxolane- 3,4-diol | A | 3FZK | 0.7 | |
ABS | (S)-(N-PHENYL-2-HYDROXY-ETHYL)- 2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE | A | 1K5F | 0.7 | |
DAK | 4-(N,N-DIMETHYLAMINO)CINNAMOYL- COA | A,B,C,D,E,F | 1EY3 | 0.72 | |
8ID | NICOTINAMIDE-8-IODO-ADENINE-DINUCLEOTIDE | A,B,C,D | 2HCY | 0.74 | |
00A | 5'-O-[(S)-{[(4-chlorophenyl)carbonyl]oxy}(hydroxy)phosphoryl]adenosine | X | 3CW8 | 0.72 | |
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 | 0.8 | |
01A | 4-Chlorophenacyl-coenzyme A | A,B | 3CW9 | 0.72 |