Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00998200
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 |
AK2 | 1-(3-chlorophenyl)-3-{5-[2-(thieno[3,2- d]pyrimidin-4-ylamino)ethyl]-1,3- thiazol-2-yl}urea | A | 3D15 | 0.73 | |
AK1 | 1-{5-[2-(thieno[3,2-d]pyrimidin- 4-ylamino)ethyl]-1,3-thiazol-2- yl}-3-[3-(trifluoromethyl)phenyl]urea | A | 3D14 | 0.7 | |
3FR | 3'-chloro-5'-(3-methyl-6-{[(1S)- 1-phenylethyl]amino}-1H-pyrazolo[4,3- c]pyridin-1-yl)biphenyl-2-carboxamide | A | 3DBD | 0.72 | |
CK1 | 4-(2,5-DICHLOROTHIEN-3-YL)PYRIMIDIN- 2-AMINE | A | 1PXI | 0.71 | |
324 | N-{3-[(5-chloro-1H-pyrrolo[2,3- b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane- 1-sulfonamide | A,B | 3C4C | 0.7 | |
HA3 | N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2- a]pyrazin-7(8H)-yl)carbonyl]thiophene- 2-carboxamide | A,B | 2VQV | 0.75 | |
HA3 | N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2- a]pyrazin-7(8H)-yl)carbonyl]thiophene- 2-carboxamide | A | 2VQM | 0.75 | |
796 | N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]- 5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE- 2-CARBOXAMIDE | A | 2GU8 | 0.82 | |
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 | 0.71 | |
628 | 4-{[6-(2,6-DICHLOROBENZOYL)IMIDAZO[1,2- A]PYRIDIN-2-YL]AMINO}BENZENESULFONAMIDE | A | 1YKR | 0.7 | |
663 | 3-CHLORO-N-(4-CHLORO-2-{[(5-CHLOROPYRIDIN- 2-YL)AMINO]CARBONYL}-6-METHOXYPHENYL)- 4-[(1-METHYL-1H-IMIDAZOL-2-YL)METHYL]THIOPHENE- 2-CARBOXAMIDE | B | 2P3U | 0.7 | |
AJI | 3-[(4-fluorophenyl)sulfanyl]-N- (4-methyl-1,3-thiazol-2-yl)-6-[(4- methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine- 2-carboxamide | X | 3A0I | 0.71 | |
G95 | N-[(1S)-2-amino-1-phenylethyl]- 5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene- 2-carboxamide | A,B | 3E87 | 0.78 | |
626 | 4-(4-METHYLPIPERAZIN-1-YL)-N-[5- (2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4- C]PYRAZOL-3-YL]BENZAMIDE | A | 2OWB | 0.74 | |
626 | 4-(4-METHYLPIPERAZIN-1-YL)-N-[5- (2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4- C]PYRAZOL-3-YL]BENZAMIDE | A,B | 2J4Z | 0.74 | |
P17 | 6-(2,6-DICHLORO-PHENYL)-8-METHYL- 2-(3-METHYLSULFANYL-PHENYLAMINO)- 8H-PYRIDO[2,3-D]PYRIMIDIN-7-ONE | A,B | 1M52 | 0.75 | |
H21 | 5-chloro-N-[1-(2-{[2-fluoro-4-(2- oxopyridin-1(2H)-yl)phenyl]amino}- 2-oxoethyl)-1H-1,2,4-triazol-3- yl]thiophene-2-carboxamide | A | 2VVV | 0.74 | |
N4D | N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4- d]pyrimidin-4-yl)amino]benzamide | A | 3CG2 | 0.72 | |
3SC | 5-(2,3-dichlorophenyl)-N-(pyridin- 4-ylmethyl)-3-thiocyanatopyrazolo[1,5- a]pyrimidin-7-amine | A | 2R3P | 0.71 |