Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01253947
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 |
P17 | 6-(2,6-DICHLORO-PHENYL)-8-METHYL- 2-(3-METHYLSULFANYL-PHENYLAMINO)- 8H-PYRIDO[2,3-D]PYRIMIDIN-7-ONE | A,B | 1M52 | 0.71 |  |
AK1 | 1-{5-[2-(thieno[3,2-d]pyrimidin- 4-ylamino)ethyl]-1,3-thiazol-2- yl}-3-[3-(trifluoromethyl)phenyl]urea | A | 3D14 | 0.78 | |
JN5 | (2S)-1,3-benzothiazol-2-yl{2-[(2- pyridin-3-ylethyl)amino]pyrimidin- 4-yl}ethanenitrile | A | 3CY3 | 0.75 | |
796 | N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]- 5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE- 2-CARBOXAMIDE | A | 2GU8 | 0.76 | |
AK7 | 1-(5-{2-[(6-amino-5-bromopyrimidin- 4-yl)amino]ethyl}-1,3-thiazol-2- yl)-3-[3-(trifluoromethyl)phenyl]urea | A | 3DJ7 | 0.7 | |
CK1 | 4-(2,5-DICHLOROTHIEN-3-YL)PYRIMIDIN- 2-AMINE | A | 1PXI | 0.76 | |
RRR | 4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}- 1-(1H-PYRROLO[3,2-C]PYRIDIN-2-YLMETHYL)PIPERAZIN- 2-ONE | A | 1NFW | 0.73 | |
D91 | 5-CHLORO-2-({3-ISOBUTYL-4-[(5-PYRIDIN- 4-YLPYRIMIDIN-2-YL)CARBONYL]PIPERAZIN- 1-YL}SULFONYL)-1H-INDOLE | A | 1WU1 | 0.7 | |
AK4 | (7-{[2-(2-{[(3-chlorophenyl)carbamoyl]amino}- 1,3-thiazol-5-yl)ethyl]amino}-1H- pyrazolo[4,3-d]pyrimidin-1-yl)acetic acid | A | 3D2K | 0.7 | |
J07 | 4-{[5-chloro-4-(1H-indol-3-yl)pyrimidin- 2-yl]amino}-N-ethylpiperidine-1- carboxamide | A | 2P33 | 0.71 | |
CK4 | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)- N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN- 2-AMINE | A | 1PXL | 0.72 | |
| CK4 | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)- N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN- 2-AMINE | A,C,F,H | 2C5V | 0.72 | |
1N1 | N-(2-CHLORO-6-METHYLPHENYL)-2-({6- [4-(2-HYDROXYETHYL)PIPERAZIN-1- YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)- 1,3-THIAZOLE-5-CARBOXAMIDE | A,B | 2GQG | 0.73 | |
| 1N1 | N-(2-CHLORO-6-METHYLPHENYL)-2-({6- [4-(2-HYDROXYETHYL)PIPERAZIN-1- YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)- 1,3-THIAZOLE-5-CARBOXAMIDE | A | 2ZVA | 0.73 | |
AK2 | 1-(3-chlorophenyl)-3-{5-[2-(thieno[3,2- d]pyrimidin-4-ylamino)ethyl]-1,3- thiazol-2-yl}urea | A | 3D15 | 0.83 | |
CK8 | N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)- PYRIMIDIN-2-YL]-N',N'-DIMETHYL- BENZENE-1,4-DIAMINE | A,C | 2C5N | 0.71 | |
| CK8 | N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)- PYRIMIDIN-2-YL]-N',N'-DIMETHYL- BENZENE-1,4-DIAMINE | A | 1PXP | 0.71 | |