Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00940791
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 |
2FR![]() | 3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}- 1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide | A | 3DBC | 0.71 | ![]() |
464![]() | 3-[5-({5-[(AMINOCARBONYL)AMINO]- 2-OXO-2H-INDOL-3-YL}METHYL)-1H- PYRROL-3-YL]-N-(2-PIPERIDIN-1-YLETHYL)BENZAMIDE | A | 2PE2 | 0.72 | ![]() |
255![]() | N-(tert-butyl)-4-[5-(pyridin-2- ylamino)quinolin-3-yl]benzenesulfonamide | A,B | 2R9S | 0.7 | ![]() |
287![]() | 4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}- 5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1- f][1,2,4]triazine-6-carboxamide | A | 2RG6 | 0.7 | ![]() |
047![]() | 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)- 1H-INDOL-3-YL]METHYL}METHANAMINE | A,B | 2PJL | 0.72 | ![]() |
246![]() | 1-benzyl-3-(2-chloropyridin-4-yl)urea | A | 2QPM | 0.78 | ![]() |
1CM![]() | (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE | A | 2CI0 | 0.76 | ![]() |
11X![]() | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.76 | ![]() |
1PU![]() | 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H- PYRROLO[2,1-A]ISOINDOL-9-YL)-3- PYRIDIN-2-YL-UREA | A | 1GII | 0.72 | ![]() |
1PU![]() | 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H- PYRROLO[2,1-A]ISOINDOL-9-YL)-3- PYRIDIN-2-YL-UREA | A | 1GIH | 0.72 | ![]() |
55F![]() | N-[4-(5-fluoro-6-methylpyridin- 2-yl)-5-quinoxalin-6-yl-1H-imidazol- 2-yl]acetamide | A,B,C,D,E | 3FAA | 0.72 | ![]() |
3B3![]() | (2S)-1-AMINO-3-[(5-NITROQUINOLIN- 8-YL)AMINO]PROPAN-2-OL | A | 2CGV | 0.71 | ![]() |
517![]() | 1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2- YL)ETHYL]-2H-INDOL-5-YL}UREA | A | 2PE1 | 0.7 | ![]() |
1SQ![]() | ISOQUINOLIN-1-AMINE | A | 2OHK | 0.73 | ![]() |
4PP![]() | C,L | 1XKA | 0.7 | ![]() | |
4PP![]() | A,B,C,D | 1XKB | 0.7 | ![]() | |
279![]() | N-ethyl-4-{[5-(methoxycarbamoyl)- 2-methylphenyl]amino}-5-methylpyrrolo[2,1- f][1,2,4]triazine-6-carboxamide | A | 2RG5 | 0.7 | ![]() |
364![]() | 3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2- DIPHOSPHONOETHYL)PYRIDINIUM | A,B | 2E94 | 0.72 | ![]() |
1IN![]() | 1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL- CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]- 4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE- 2-CARBOXYLIC ACID TERT-BUTYLAMIDE | B | 2BPV | 0.72 | ![]() |
1IN![]() | 1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL- CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]- 4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE- 2-CARBOXYLIC ACID TERT-BUTYLAMIDE | B | 2BPW | 0.72 | ![]() |
218![]() | 1-[(4-AMINO-2-METHYLPYRIMIDIN-5- YL)METHYL]-3-(2-HYDROXYETHYL)-2- METHYLPYRIDINIUM | A | 2HOP | 0.71 | ![]() |
245![]() | 1-(2-chloropyridin-4-yl)-3-phenylurea | A | 2QKN | 0.72 | ![]() |
2SC![]() | (5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5- a]pyrimidin-3-yl)methanol | A | 2R3O | 0.71 | ![]() |