Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01428796
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 |
AJB | 2-amino-N-(4-methyl-1,3-thiazol- 2-yl)-5-[(4-methyl-4H-1,2,4-triazol- 3-yl)sulfanyl]benzamide | A | 3FR0 | 0.71 | |
G95 | N-[(1S)-2-amino-1-phenylethyl]- 5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene- 2-carboxamide | A,B | 3E87 | 0.71 | |
I96 | N-(2-ISOPROPYLPHENYL)-3-[(2-THIENYLMETHYL)THIO]- 1H-1,2,4-TRIAZOL-5-AMINE | A | 2OAZ | 0.76 | |
O16 | 3-(1,3-BENZOTHIAZOL-2-YL)-2-(1,4- DIOXO-1,2,3,4-TETRAHYDROPHTHALAZIN- 6-YL)-5-[(E)-2-PHENYLVINYL]-3H- TETRAAZOL-2-IUM | A,B,C,D | 1V40 | 0.75 | |
LOI | 2-(methylamino)-N-(4-methyl-1,3- thiazol-2-yl)-5-[(4-methyl-4H-1,2,4- triazol-3-yl)sulfanyl]benzamide | A | 3GOI | 0.72 | |
NZO | nocodazole | A,B | 3EE2 | 0.75 | |
626 | 4-(4-METHYLPIPERAZIN-1-YL)-N-[5- (2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4- C]PYRAZOL-3-YL]BENZAMIDE | A | 2OWB | 0.73 | |
626 | 4-(4-METHYLPIPERAZIN-1-YL)-N-[5- (2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4- C]PYRAZOL-3-YL]BENZAMIDE | A,B | 2J4Z | 0.73 |