Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02689322
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 |
ESP![]() | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | B | 1C5Y | 0.71 | ![]() |
ESP![]() | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5U | 0.71 | ![]() |
ESP![]() | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5T | 0.71 | ![]() |
32T![]() | (S)-2-AMINO-3-(4H-THIENO[3,2-B]- PYRROL-6-YL)-PROPIONIC ACID | A | 1RMO | 0.72 | ![]() |
MIB![]() | (3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT- 3-EN-2-ONE | A | 1ZS5 | 0.71 | ![]() |
F10![]() | 2-[2-(2-FLUOROPHENYL)PYRIDIN-4- YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2- C]PYRIDIN-4-ONE | X | 2P3G | 0.72 | ![]() |
180![]() | 2-(S)-[N-(3-PYRIDYLSULFONYL)AMINO]- 3-[[2-CARBONYL-5-[2-(PIPERIDIN- 4-YL)ETHYL]-THIENO[2,3-B]THIOPHENEYL]AMINO]- PROPIONIC ACID | A,B | 2VC2 | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2E5D | 0.7 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D | 2Z77 | 0.7 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1DMA | 0.7 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1ISM | 0.7 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1YC5 | 0.7 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2ZB7 | 0.7 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D,E,F, G,H | 1R15 | 0.7 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2QQG | 0.7 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2OTV | 0.7 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2QHF | 0.7 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D | 2C8A | 0.7 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2HJH | 0.7 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2A15 | 0.7 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2R6V | 0.7 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1ISI | 0.7 | ![]() |
NCA![]() | NICOTINAMIDE | A,D,E | 2R9J | 0.7 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2H4J | 0.7 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2OD9 | 0.7 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D,E | 1YC2 | 0.7 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 3DZG | 0.7 | ![]() |
NCA![]() | NICOTINAMIDE | A | 1OJU | 0.7 | ![]() |
I3A![]() | 1H-INDOLE-3-CARBALDEHYDE | A,B,C,D | 3BWL | 0.72 | ![]() |
I3A![]() | 1H-INDOLE-3-CARBALDEHYDE | A,B | 2OU3 | 0.72 | ![]() |
HA3![]() | N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2- a]pyrazin-7(8H)-yl)carbonyl]thiophene- 2-carboxamide | A,B | 2VQV | 0.71 | ![]() |
HA3![]() | N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2- a]pyrazin-7(8H)-yl)carbonyl]thiophene- 2-carboxamide | A | 2VQM | 0.71 | ![]() |
PBO![]() | 1-PYRIDIN-3-YLBUTAN-1-ONE | A | 1PYJ | 0.78 | ![]() |
MYT![]() | METYRAPONE | A | 1PHG | 0.75 | ![]() |
MYT![]() | METYRAPONE | A | 1W0G | 0.75 | ![]() |
G95![]() | N-[(1S)-2-amino-1-phenylethyl]- 5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene- 2-carboxamide | A,B | 3E87 | 0.7 | ![]() |
PF3![]() | (2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]- THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID | A,B | 1UTZ | 0.75 | ![]() |
B97![]() | (10R)-10-methyl-3-(6-methylpyridin- 3-yl)-9,10,11,12-tetrahydro-8H- [1,4]diazepino[5',6':4,5]thieno[3,2- f]quinolin-8-one | X | 3FYJ | 0.73 | ![]() |
AGE![]() | (2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)- 1H-pyrrol-2-yl]prop-2-enamide | A,B,C | 3F07 | 0.75 | ![]() |
D8G![]() | 6-(2-fluorobenzyl)-2,4-dimethyl- 4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3- d]pyridazin-5-one | A,B,C,D | 3H6O | 0.71 | ![]() |
NHB![]() | N-HYDROXY-4-(METHYL{[5-(2-PYRIDINYL)- 2-THIENYL]SULFONYL}AMINO)BENZAMIDE | A,B | 1W22 | 0.81 | ![]() |