Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01724834
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 |
L23 | 4-[1-(2,6-dichlorobenzyl)-2-methyl- 1H-imidazol-4-yl]pyrimidin-2-amine | A,C | 2W71 | 0.73 | |
JI7 | N-{(3R,4S)-4-[(6-amino-4-methylpyridin- 2-yl)methyl]pyrrolidin-3-yl}-N'- (3-chlorobenzyl)ethane-1,2-diamine | A,B | 3B3P | 0.73 | |
JI7 | N-{(3R,4S)-4-[(6-amino-4-methylpyridin- 2-yl)methyl]pyrrolidin-3-yl}-N'- (3-chlorobenzyl)ethane-1,2-diamine | A,B | 3DQT | 0.73 | |
JI3 | N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN- 2-YL)METHYL]PYRROLIDIN-3-YL}-N'- (4-CHLOROBENZYL)ETHANE-1,2-DIAMINE | A,B | 3B3O | 0.72 | |
JI3 | N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN- 2-YL)METHYL]PYRROLIDIN-3-YL}-N'- (4-CHLOROBENZYL)ETHANE-1,2-DIAMINE | A,B | 3DQS | 0.72 | |
QPP | N-(5-METHYL-1H-PYRAZOL-3-YL)-2- PHENYLQUINAZOLIN-4-AMINE | A,C | 2JC6 | 0.7 | |
CL3 | N-METHYL-N-[3-(6-PHENYL[1,2,4]TRIAZOLO[4,3- B]PYRIDAZIN-3-YL)PHENYL]ACETAMIDE | A | 1Y2G | 0.74 | |
C35 | N~2~-{[1-(4-CHLOROPHENYL)-5-METHYL- 1H-1,2,4-TRIAZOL-3-YL]CARBONYL}- N~5~-(DIAMINOMETHYLIDENE)-L-ORNITHYL- L-LEUCYL-L-ISOLEUCYL-4-FLUORO-L- PHENYLALANINAMIDE | B,D | 2V22 | 0.73 | |
7AC | 7-(aminomethyl)-6-(2-chlorophenyl)- 1-methyl-1H-benzimidazole-5-carbonitrile | A,B,C,D | 3CCC | 0.72 | |
880 | CYCLOHEXYL-{4-[5-(3,4-DICHLOROPHENYL)- 2-PIPERIDIN-4-YL-3-PROPYL-3H-IMIDAZOL- 4-YL]-PYRIMIDIN-2-YL}AMINE | A | 1PMQ | 0.7 | |
JAN | 6-[(S)-AMINO(4-CHLOROPHENYL)(1- METHYL-1H-IMIDAZOL-5-YL)METHYL]- 4-(3-CHLOROPHENYL)-1-METHYLQUINOLIN- 2(1H)-ONE | B | 1X81 | 0.71 | |
JAN | 6-[(S)-AMINO(4-CHLOROPHENYL)(1- METHYL-1H-IMIDAZOL-5-YL)METHYL]- 4-(3-CHLOROPHENYL)-1-METHYLQUINOLIN- 2(1H)-ONE | B | 1SA4 | 0.71 | |
PP2 | 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)- 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE | A,B | 3GEQ | 0.7 | |
PP2 | 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)- 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE | A | 2ZV9 | 0.7 | |
PP2 | 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)- 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE | A | 1QPE | 0.7 | |
501 | N7-BUTYL-N2-(5-CHLORO-2-METHYLPHENYL)- 5-METHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE- 2,7-DIAMINE | A,B | 1ZGV | 0.72 | |
DZP | 7-CHLORO-1-METHYL-5-PHENYL-1,3- DIHYDRO-2H-1,4-BENZODIAZEPIN-2- ONE | A,B | 2BXF | 0.71 | |
CP6 | 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE- 2,4-DIAMINE | A | 2BLA | 0.7 | |
CP6 | 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE- 2,4-DIAMINE | A | 2BL9 | 0.7 | |
CP6 | 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE- 2,4-DIAMINE | A,B,C,D | 1J3J | 0.7 | |
T50 | 1-(2,6-DIFLUOROBENZYL)-2-(2,6-DIFLUOROPHENYL)- 4-METHYL-1H-BENZIMIDAZOLE | A | 2B6A | 0.71 | |
VGF | 1-(3,4-DICHLOROBENZYL)-7-PHENYL- 1H-BENZIMIDAZOL-2-AMINE | A,B,C,D | 2WD8 | 0.75 | |
KSF | N-(2-chlorophenyl)-5-phenylimidazo[1,5- a]pyrazin-8-amine | A | 2ZM1 | 0.72 |