Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00915456
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 |
3TH | 2-CHLORO-N-[(3R)-2-OXO-1,2,3,4- TETRAHYDROQUINOLIN-3-YL]-6H-THIENO[2,3- B]PYRROLE-5-CARBOXAMIDE | A | 2GM9 | 0.71 | |
8AD | 9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE- 4-CARBOXAMIDE | A,B | 1FN2 | 0.79 | |
8AD | 9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE- 4-CARBOXAMIDE | A,B | 1FN1 | 0.79 | |
BDC | BIS-(9-OCTYLAMINO(2-DIMETHYLAMINOETHYL)ACRIDINE- 4-CARBOXAMIDE | A,B | 1K2L | 0.77 | |
A1E | (5R)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN- 9-YLAMINO)DECYL]AMINO}-5,6,7,8- TETRAHYDROQUINOLIN-2(1H)-ONE | A | 1ZGB | 0.72 | |
A2T | N-[1-(3-METHYLBUTYL)PIPERIDIN-4- YL]-N-{4-[METHYL(PYRIDIN-4-YL)AMINO]BENZYL}- 4-PENTYLBENZAMIDE | A,B | 2IGY | 0.7 | |
D92 | N-((1R,2S)-2-(5-CHLORO-1H-INDOLE- 2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL- 4,5,6,7-TETRAHYDROTHIAZOLO[5,4- C]PYRIDINE-2-CARBOXAMIDE | A | 2EI6 | 0.72 | |
1IG | N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN- 5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO- 4H-1,4-BENZOTHIAZIN-4-YL]ETHYL}ACETAMIDE | A,B | 2G1N | 0.73 | |
373 | 3-(5-{[4-(AMINOMETHYL)PIPERIDIN- 1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN- 2(1H)-ONE | A | 2HXQ | 0.71 | |
7AD | 9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE- 4-CARBOXAMIDE | A,B | 1RQY | 0.79 | |
A1T | 5-PENTYL-N-{[4'-(PIPERIDIN-1-YLCARBONYL)BIPHENYL- 4-YL]METHYL}-N-[1-(PYRIDIN-2-YLMETHYL)PIPERIDIN- 4-YL]PYRIDINE-2-CARBOXAMIDE | A | 2IGX | 0.7 | |
A4C | 9,9'-(HEXANE-1,6-DIYLDIIMINO)BIS{N- [2-(DIMETHYLAMINO)ETHYL]ACRIDINE- 4-CARBOXAMIDE} | A | 2GWA | 0.77 | |
A4C | 9,9'-(HEXANE-1,6-DIYLDIIMINO)BIS{N- [2-(DIMETHYLAMINO)ETHYL]ACRIDINE- 4-CARBOXAMIDE} | A,B | 2GB9 | 0.77 | |
9AD | 9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE- 4-CARBOXAMIDE | A | 465D | 0.78 | |
9AD | 9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE- 4-CARBOXAMIDE | A | 452D | 0.78 | |
A2E | (5S)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN- 9-YLAMINO)DECYL]AMINO}-5,6,7,8- TETRAHYDROQUINOLIN-2(1H)-ONE | A,B | 1ZGC | 0.72 | |
B97 | (10R)-10-methyl-3-(6-methylpyridin- 3-yl)-9,10,11,12-tetrahydro-8H- [1,4]diazepino[5',6':4,5]thieno[3,2- f]quinolin-8-one | X | 3FYJ | 0.75 | |
9AC | 9-ACRIDINECARBONYL | A,B,G,J,K,L,M | 1G3X | 0.74 | |
BRA | 9-[4-(n,n-dimethylamino)phenylamino]- 3,6-bis(3-pyrrolidinopropionamido) acridine | A | 3CE5 | 0.71 | |
737 | N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)- BUTYL]-2-{6-OXO-5-[(QUINOLIN-8- YLMETHYL)-AMINO]-2-M-TOLYL-6H-PYRIMIDIN- 1-YL}-ACETAMIDE | A | 1ZTL | 0.71 | |
B9A | MACROCYCLIC-BIS-9-AMINO-ACRIDINE | A,B | 1FD5 | 0.76 | |
BFA | 9-BROMO-PHENAZINE-1-CARBOXYLIC ACID (2- DIMETHYLAMINO-ETHYL)-AMIDE | A,B | 1EG6 | 0.73 | |
311 | (3,3-dimethylpiperidin-1-yl)(6- (3-fluoro-4-methylphenyl)pyridin- 2-yl)methanone | A,B,D,E | 3CH6 | 0.71 |