Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02330145
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 |
INO![]() | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCL | 0.71 | ![]() |
INO![]() | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCJ | 0.71 | ![]() |
DGB![]() | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2G97 | 0.76 | ![]() |
DGB![]() | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2GVJ | 0.76 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B,C,D | 1W6F | 0.72 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2V2E | 0.72 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | X | 2VCF | 0.72 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCS | 0.72 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCN | 0.72 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B | 1XR3 | 0.72 | ![]() |
BRT![]() | 5-BROMONICOTINAMIDE | A,B | 1GXZ | 0.77 | ![]() |
BI5![]() | 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE | A | 1ZYJ | 0.7 | ![]() |
K27![]() | 4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium | A,B | 2WHR | 0.73 | ![]() |
IHZ![]() | 5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine- 3-carboxamide | A | 3DKO | 0.71 | ![]() |
368![]() | (1R)-2-{[AMINO(IMINO)METHYL]AMINO}- 1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE | A | 1ZLR | 0.73 | ![]() |
D3G![]() | (5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE | A,B,C,D | 2FDW | 0.71 | ![]() |
MYT![]() | METYRAPONE | A | 1PHG | 0.71 | ![]() |
MYT![]() | METYRAPONE | A | 1W0G | 0.71 | ![]() |
LG2![]() | 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8- TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE- 3-CARBOXYLIC ACID | A,B,C,D | 1H9U | 0.71 | ![]() |
NA4![]() | 4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)- PYRIDIN-3-YL]-BENZOIC ACID | A,C | 1RHM | 0.8 | ![]() |
MIL![]() | MILRINONE | A,B | 1TLM | 0.71 | ![]() |
24X![]() | H,L | 2EC9 | 0.73 | ![]() | |
NCA![]() | NICOTINAMIDE | A,B | 2E5D | 0.81 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D | 2Z77 | 0.81 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1DMA | 0.81 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1ISM | 0.81 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1YC5 | 0.81 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2ZB7 | 0.81 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D,E,F, G,H | 1R15 | 0.81 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2QQG | 0.81 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2OTV | 0.81 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2QHF | 0.81 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D | 2C8A | 0.81 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2HJH | 0.81 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2A15 | 0.81 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2R6V | 0.81 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1ISI | 0.81 | ![]() |
NCA![]() | NICOTINAMIDE | A,D,E | 2R9J | 0.81 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2H4J | 0.81 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2OD9 | 0.81 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D,E | 1YC2 | 0.81 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 3DZG | 0.81 | ![]() |
NCA![]() | NICOTINAMIDE | A | 1OJU | 0.81 | ![]() |
3HM![]() | 5-hydroxy-6-methylpyridine-3-carboxylic acid | A,B | 3GMC | 0.72 | ![]() |
6PC![]() | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLN | 0.71 | ![]() |
6PC![]() | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLO | 0.71 | ![]() |
NA3![]() | (3S)-3-{[(5-BROMOPYRIDIN-3-YL)CARBONYL]AMINO}- 4-OXOBUTANOIC ACID | A | 1RE1 | 0.79 | ![]() |
FXV![]() | METHYL-3-(4'-N-OXOPYRIDYLPHENOYL)- 3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE | A | 1KSN | 0.71 | ![]() |
D2G![]() | N-METHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE | A,B,C,D | 2FDV | 0.7 | ![]() |