Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03469733
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 |
L0F | N-[3-(1H-BENZIMIDAZOL-2-YL)-1H- PYRAZOL-4-YL]BENZAMIDE | A | 2W1F | 0.72 | |
LYA | 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO- 3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)- ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID | A,B,C,D | 1JUJ | 0.73 | |
LYA | 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO- 3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)- ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID | A,B,C,D | 1JU6 | 0.73 | |
325 | N-{2,4-difluoro-3-[(5-pyridin-3- yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide | A | 3C4D | 0.73 | |
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 | 0.75 | |
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 | 0.75 | |
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 | 0.75 | |
LYB | 2-{4-[4-(4-{4-[2-(2-AMINO-4-OXO- 4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN- 5-YL)-ETHYL]-BENZOYLAMINO}-4-CARBOXY- BUTYRYLAMINO)-4-CARBOXY-BUTYRYLAMINO}- PENTANEDIOIC ACID | A,B | 1JTU | 0.7 | |
G44 | 4-({[4-(3-METHYLBENZOYL)PYRIDIN- 2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE | C,D | 2PKS | 0.71 | |
MMG | 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin- 3-yl)benzoic acid | A | 3HDM | 0.71 | |
L0C | 4-{[2-(4-{[(4-FLUOROPHENYL)CARBONYL]AMINO}- 1H-PYRAZOL-3-YL)-1H-BENZIMIDAZOL- 6-YL]METHYL}MORPHOLIN-4-IUM | A | 2W1C | 0.71 | |
LYD | 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO- 3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)- ETHYL]-BENZOYLAMINO}-3-METHYL-BUTYRIC ACID | A,B | 1JUT | 0.74 | |
324 | N-{3-[(5-chloro-1H-pyrrolo[2,3- b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane- 1-sulfonamide | A,B | 3C4C | 0.71 | |
GPB | N-[4-[2-(2-AMINO-4-METHYL-7H-PYRROLO[2,3- D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]GLUTAMIC ACID | A | 1E26 | 0.7 | |
DX6 | 2-amino-5-(2-phenylethyl)-3,7-dihydro- 4H-pyrrolo[2,3-d]pyrimidin-4-one | A,B,C,D | 3BMH | 0.76 | |
100 | 1-(5-CHLOROINDOL-3-YL)-3-HYDROXY- 3-(2H-TETRAZOL-5-YL)-PROPENONE | A,B,C | 1QS4 | 0.77 | |
L0H | N-[3-(1H-BENZIMIDAZOL-2-YL)-1H- PYRAZOL-4-YL]BENZAMIDE | A | 2W1H | 0.72 | |
19A | N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL- 3-YL)-1H-PYRROLE-2-CARBOXAMIDE | A | 2OJG | 0.7 | |
N4D | N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4- d]pyrimidin-4-yl)amino]benzamide | A | 3CG2 | 0.7 | |
LY3 | 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO- 3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)- ETHYL]-BENZOYLAMINO}-4-(2H-TETRAZOL- 5-YL)-BUTYRIC ACID | A,B | 1JTQ | 0.78 |