Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00263413
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 |
MI2![]() | 2-(2-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE | A | 2G8T | 0.71 | ![]() |
AUP![]() | 2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7- TETRAHYDRO-2H-ISOPHOSPHINDOL-1- YL)PYRIDINE | A | 2AAQ | 0.72 | ![]() |
2MI![]() | 2-METHYL-1H-INDOLE | A | 2PIO | 0.72 | ![]() |
23M![]() | 2-(3-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE | A | 2G5N | 0.71 | ![]() |
760![]() | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4- TETRAHYDROACRIDINE | A | 1DX4 | 0.71 | ![]() |
N8T![]() | N-[8-(1,2,3,4-TETRAHYDROACRIDIN- 9-YLTHIO)OCTYL]-1,2,3,4-TETRAHYDROACRIDIN- 9-AMINE | A | 2CEK | 0.73 | ![]() |
9CA![]() | 9H-CARBAZOLE | A,B,C,D,E,F | 2DE7 | 0.73 | ![]() |
P83![]() | 1-(9-ethyl-9H-carbazol-3-yl)-N- methylmethanamine | A,B | 2VUK | 0.72 | ![]() |
047![]() | 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)- 1H-INDOL-3-YL]METHYL}METHANAMINE | A,B | 2PJL | 0.71 | ![]() |
22M![]() | 2-(2-METHYLPHENYL)-1H-INDOLE-6- CARBOXIMIDAMIDE | A | 2G5V | 0.72 | ![]() |
THA![]() | TACRINE | A,B | 2AOW | 0.7 | ![]() |
THA![]() | TACRINE | A,B,C,D,E,F | 1MX1 | 0.7 | ![]() |
THA![]() | TACRINE | A,B | 2AOX | 0.7 | ![]() |
THA![]() | TACRINE | A | 1ACJ | 0.7 | ![]() |
TOT![]() | 1,1-(4,4,8,8-TETRAMETHYL-4,8-DIAZAUNDECAMETHYLENE)- BIS-4-3-METHYL-2,3-DIHYDRO-(BENZO- 1,3-THIAZOLE)-2-METHYLIDENE)-QUINOLINIUM | A | 108D | 0.74 | ![]() |
P90![]() | {4-[(2S,4E)-2-(1,3-BENZOTHIAZOL- 2-YL)-2-(1H-1,2,3-BENZOTRIAZOL- 1-YL)-5-PHENYLPENT-4-ENYL]PHENYL}(DIFLUORO)METHYLPHOSPHONIC ACID | A,B | 1Q6N | 0.74 | ![]() |
ESP![]() | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | B | 1C5Y | 0.75 | ![]() |
ESP![]() | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5U | 0.75 | ![]() |
ESP![]() | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5T | 0.75 | ![]() |
3NA![]() | {3-[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL- 2-YL)METHYL]-1H-INDOL-1-YL}ACETIC ACID | A | 1Z3N | 0.71 | ![]() |
NPM![]() | N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | A,B | 2ET0 | 0.7 | ![]() |
RKA![]() | N,N'-(1H-PYRROLE-2,5-DIYLDI-4,1- PHENYLENE)DIBENZENECARBOXIMIDAMIDE | A | 2GYX | 0.71 | ![]() |
THZ![]() | BENZOTHIAZOLE | H,I,R | 1TBZ | 0.7 | ![]() |
THZ![]() | BENZOTHIAZOLE | H,I,R | 1B5G | 0.7 | ![]() |
DAP![]() | 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE | A | 1D30 | 0.71 | ![]() |
DAP![]() | 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE | A | 432D | 0.71 | ![]() |