Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00684199
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 |
866 | 5-amino-N-[(2S)-2-({[(2,6-dichlorophenyl)carbonyl](ethyl)amino}methyl)- 3,3,3-trifluoro-2-hydroxypropyl]- 1-(4-fluorophenyl)-1H-pyrazole- 4-carboxamide | A,B | 3E7C | 0.71 | |
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 | 0.72 | |
618 | (3R,6R,9AR)-2,2-DIMETHYL-6-[(N- METHYL-L-ALANYL)AMINO]-N-(3-METHYL- 1-PHENYL-1H-PYRAZOL-5-YL)-5-OXO- 2,3,5,6,9,9A-HEXAHYDRO[1,3]THIAZOLO[3,2- A]AZEPINE-3-CARBOXAMIDE | A,B | 2I3I | 0.75 | |
304 | N-[2-methyl-5-(methylcarbamoyl)phenyl]- 2-{[(1R)-1-methylpropyl]amino}- 1,3-thiazole-5-carboxamide | A | 3BX5 | 0.7 | |
SX7 | 2-amino-5-[3-(1-ethyl-1H-pyrazol- 5-yl)-1H-pyrrolo[2,3-b]pyridin- 5-yl]-N,N-dimethylbenzamide | A,B | 3DK3 | 0.72 | |
SX7 | 2-amino-5-[3-(1-ethyl-1H-pyrazol- 5-yl)-1H-pyrrolo[2,3-b]pyridin- 5-yl]-N,N-dimethylbenzamide | A,B | 3DK7 | 0.72 | |
SX7 | 2-amino-5-[3-(1-ethyl-1H-pyrazol- 5-yl)-1H-pyrrolo[2,3-b]pyridin- 5-yl]-N,N-dimethylbenzamide | A,B | 3DK6 | 0.72 | |
P04 | 19-(cyclopropylamino)-4,6,7,15- tetrahydro-5H-16,1-(azenometheno)- 10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin- 8(9H)-one | A | 3BE9 | 0.72 | |
CT9 | 4-[5-(TRANS-4-AMINOCYCLOHEXYLAMINO)- 3-ISOPROPYLPYRAZOLO[1,5-A]PYRIMIDIN- 7-YLAMINO]-N,N-DIMETHYLBENZENESULFONAMIDE | A | 1Y91 | 0.71 | |
DMZ | 4-METHYL-N-METHYL-N-(2-PHENYL-2H- PYRAZOL-3-YL)BENZENESULFONAMIDE | A | 1N6B | 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 | 0.73 | |
HA3 | N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2- a]pyrazin-7(8H)-yl)carbonyl]thiophene- 2-carboxamide | A | 2VQM | 0.73 | |
626 | 4-(4-METHYLPIPERAZIN-1-YL)-N-[5- (2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4- C]PYRAZOL-3-YL]BENZAMIDE | A | 2OWB | 0.8 | |
626 | 4-(4-METHYLPIPERAZIN-1-YL)-N-[5- (2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4- C]PYRAZOL-3-YL]BENZAMIDE | A,B | 2J4Z | 0.8 | |
HM5 | 3-[(2,2-DIMETHYLPROPANOYL)AMINO]- N-1,3-THIAZOL-2-YLPYRIDINE-2-CARBOXAMIDE | A | 2NQ7 | 0.73 | |
VX6 | CYCLOPROPANECARBOXYLIC ACID {4- [4-(4-METHYL-PIPERAZIN-1-YL)-6- (5-METHYL-2H-PYRAZOL-3-YLAMINO)- PYRIMIDIN-2-YLSULFANYL]-PHENYL}- AMIDE | A | 3E5A | 0.71 | |
VX6 | CYCLOPROPANECARBOXYLIC ACID {4- [4-(4-METHYL-PIPERAZIN-1-YL)-6- (5-METHYL-2H-PYRAZOL-3-YLAMINO)- PYRIMIDIN-2-YLSULFANYL]-PHENYL}- AMIDE | A | 2F4J | 0.71 | |
QIN | N-[(1S,2S)-2-AMINO-1-(3-THIENYLMETHYL)HEXYL]- 2-({[(1S,2S)-2-METHYLCYCLOPROPYL]METHYL}AMINO)- 6-[METHYL(METHYLSULFONYL)AMINO]ISONICOTINAMIDE | A | 2OAH | 0.72 | |
HM4 | TERT-BUTYL {2-[(1,3-THIAZOL-2-YLAMINO)CARBONYL]PYRIDIN- 3-YL}CARBAMATE | A | 2NQ6 | 0.7 | |
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 | 0.72 | |
796 | N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]- 5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE- 2-CARBOXAMIDE | A | 2GU8 | 0.72 | |
20A | 1-ethyl-N-(phenylmethyl)-4-(tetrahydro- 2H-pyran-4-ylamino)-1H-pyrazolo[3,4- b]pyridine-5-carboxamide | A | 3D3P | 0.71 | |
CT7 | (5-CHLOROPYRAZOLO[1,5-A]PYRIMIDIN- 7-YL)-(4-METHANESULFONYLPHENYL)AMINE | A | 1Y8Y | 0.72 | |
003 | 5-METHYL-7-(2-METHYLPROPYL)-2-(NAPHTHALEN- 1-YLMETHYL)-3-PYRIDIN-4-YL-2H-PYRAZOLO[3,4- D]PYRIMIDINE-4,6(5H,7H)-DIONE | A,B | 2JFZ | 0.71 | |
N4D | N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4- d]pyrimidin-4-yl)amino]benzamide | A | 3CG2 | 0.72 | |
G95 | N-[(1S)-2-amino-1-phenylethyl]- 5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene- 2-carboxamide | A,B | 3E87 | 0.73 | |
P63 | N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOLO[1,5- A][1,3,5]TRIAZIN-2-YLAMINO)PHENYL)ACETAMIDE | A | 2PVN | 0.72 | |
685 | 2-{2-[(3,5-dimethylphenyl)amino]pyrimidin- 4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]- 4-methyl-1,3-thiazole-5-carboxamide | A | 3EMG | 0.7 |