Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03703595
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 |
AK1 | 1-{5-[2-(thieno[3,2-d]pyrimidin- 4-ylamino)ethyl]-1,3-thiazol-2- yl}-3-[3-(trifluoromethyl)phenyl]urea | A | 3D14 | 0.7 |  |
CP9 | 3-[4-(2-METHYL-IMIDAZO[4,5-C]PYRIDIN- 1-YL)BENZYL]-3H-BENZOTHIAZOL-2- ONE | A | 1TV6 | 0.72 | |
BTH | 4-OXO-3-{6-[4-(QUINOXALIN-2-YLAMINO)- BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}- PENTANOIC ACID | A | 1RWO | 0.72 | |
NXX | A,B,C,D | 3DLA | 0.71 | | |
| NXX | A,B,C | 2QTR | 0.71 | | |
654 | 4-(2-THIENYL)-1-(4-METHYLBENZYL)- 1H-IMIDAZOLE | A,B | 1I2Z | 0.72 | |
Q74 | 2-(3-((4,5,7-trifluorobenzo[d]thiazol- 2-yl)methyl)-1H-pyrrolo[2,3-b]pyridin- 1-yl)acetic acid | A | 3G5E | 0.72 | |
HA3 | N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2- a]pyrazin-7(8H)-yl)carbonyl]thiophene- 2-carboxamide | A,B | 2VQV | 0.81 | |
| HA3 | N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2- a]pyrazin-7(8H)-yl)carbonyl]thiophene- 2-carboxamide | A | 2VQM | 0.81 | |
4RB | 4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2- b]pyridazin-3-yl)benzoic acid | A | 3BQR | 0.7 | |
Q2Y | 4-OXO-3-[2-(5-{[4-(QUINOXALIN-2- YLAMINO)-BENZOYLAMINO]-METHYL}- THIOPHEN-2-YL)-ACETYLAMINO]-PENTANOIC ACID | A | 1RWM | 0.72 | |
TFG | 2,2,2-TRIFLUORO-1-{5-[(3-PHENYL- 5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN- 7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE- 1,1-DIOL | A,B | 2VQQ | 0.81 | |
| TFG | 2,2,2-TRIFLUORO-1-{5-[(3-PHENYL- 5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN- 7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE- 1,1-DIOL | A,B | 2VQO | 0.81 | |
| TFG | 2,2,2-TRIFLUORO-1-{5-[(3-PHENYL- 5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN- 7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE- 1,1-DIOL | A | 2VQJ | 0.81 | |
G95 | N-[(1S)-2-amino-1-phenylethyl]- 5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene- 2-carboxamide | A,B | 3E87 | 0.74 | |
DND | NICOTINIC ACID ADENINE DINUCLEOTIDE | A,B,C,D,E,F | 1KQO | 0.71 | |
| DND | NICOTINIC ACID ADENINE DINUCLEOTIDE | A,B | 2H29 | 0.71 | |
| DND | NICOTINIC ACID ADENINE DINUCLEOTIDE | A,B | 1NUQ | 0.71 | |
| DND | NICOTINIC ACID ADENINE DINUCLEOTIDE | A | 1WXG | 0.71 | |
| DND | NICOTINIC ACID ADENINE DINUCLEOTIDE | A,B,C,D,E,F | 1KAQ | 0.71 | |
| DND | NICOTINIC ACID ADENINE DINUCLEOTIDE | A,B | 1EE1 | 0.71 | |
| DND | NICOTINIC ACID ADENINE DINUCLEOTIDE | A,B,C,D | 3E27 | 0.71 | |
| DND | NICOTINIC ACID ADENINE DINUCLEOTIDE | A | 1XQD | 0.71 | |
| DND | NICOTINIC ACID ADENINE DINUCLEOTIDE | A,B | 2H2A | 0.71 | |
| DND | NICOTINIC ACID ADENINE DINUCLEOTIDE | A,B | 1IFX | 0.71 | |
| DND | NICOTINIC ACID ADENINE DINUCLEOTIDE | A,B | 1XNG | 0.71 | |