Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00722046
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 |
9CA | 9H-CARBAZOLE | A,B,C,D,E,F | 2DE7 | 0.72 | |
P27 | {[2-(1H-1,2,3-BENZOTRIAZOL-1-YL)- 2-(3,4-DIFLUOROPHENYL)PROPANE-1,3- DIYL]BIS[4,1-PHENYLENE(DIFLUOROMETHYLENE)]}BIS(PHOSPHONIC ACID) | A | 1Q6M | 0.81 | |
23M | 2-(3-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE | A | 2G5N | 0.71 | |
2MI | 2-METHYL-1H-INDOLE | A | 2PIO | 0.73 | |
P83 | 1-(9-ethyl-9H-carbazol-3-yl)-N- methylmethanamine | A,B | 2VUK | 0.7 | |
214 | 6-[4-((2R)-2-(1H-1,2,3-BENZOTRIAZOL- 1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}- 2-PHENYLPROPYL)PHENYL]-2-METHYLQUINOLIN- 8-YLPHOSPHONIC ACID | A,B | 1Q6S | 0.73 | |
CEL | 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)- 1H-PYRAZOL-1-YL]BENZENESULFONAMIDE | A | 1OQ5 | 0.72 | |
T50 | 1-(2,6-DIFLUOROBENZYL)-2-(2,6-DIFLUOROPHENYL)- 4-METHYL-1H-BENZIMIDAZOLE | A | 2B6A | 0.74 | |
DAP | 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE | A | 1D30 | 0.7 | |
DAP | 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE | A | 432D | 0.7 | |
BAI | (5-AMIDINO-2-BENZIMIDAZOLYL)(2- BENZIMIDAZOLYL)METHANE | H,I | 1C1U | 0.71 | |
BAI | (5-AMIDINO-2-BENZIMIDAZOLYL)(2- BENZIMIDAZOLYL)METHANE | A | 1C1R | 0.71 | |
BAI | (5-AMIDINO-2-BENZIMIDAZOLYL)(2- BENZIMIDAZOLYL)METHANE | A | 1C1P | 0.71 | |
BAI | (5-AMIDINO-2-BENZIMIDAZOLYL)(2- BENZIMIDAZOLYL)METHANE | A | 1C1Q | 0.71 | |
MI2 | 2-(2-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE | A | 2G8T | 0.7 | |
335 | [4-(2-(1H-1,2,3-BENZOTRIAZOL-1- YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}- 2-PHENYLPROPYL)PHENYL](DIFLUORO)METHYLPHOSPHONIC ACID | A | 1Q6J | 0.8 | |
213 | A,B | 1Q6P | 0.78 | ||
580 | 3-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN- 2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2- B]PYRAZOLE | A | 1RW8 | 0.71 | |
FPH | 3-(4-FLUOROPHENYL)-2-PYRIDIN-4- YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL | A | 1OZ1 | 0.73 |