Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00127722
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 |
CNQ![]() | 3-(4-CHLOROPHENYL)QUINOXALINE-5- CARBOXAMIDE | A,B,C,D | 1WOK | 0.7 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A,B | 2QTN | 0.73 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A | 1L4F | 0.73 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A | 1L4L | 0.73 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A,B,C,D | 1YUM | 0.73 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A | 1L4M | 0.73 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A,B,C,D,E,F | 1QPN | 0.73 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A,B,C | 2B7Q | 0.73 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A | 1L4K | 0.73 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A | 1L4G | 0.73 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A | 1YTK | 0.73 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A | 1L4H | 0.73 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A | 1L5O | 0.73 | ![]() |
NNO![]() | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCK | 0.74 | ![]() |
NNO![]() | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCM | 0.74 | ![]() |
PD2![]() | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B,C | 2W2I | 0.7 | ![]() |
PD2![]() | PYRIDINE-2,4-DICARBOXYLIC ACID | A | 2GKL | 0.7 | ![]() |
PD2![]() | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2VD7 | 0.7 | ![]() |
PD2![]() | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2JIG | 0.7 | ![]() |
368![]() | (1R)-2-{[AMINO(IMINO)METHYL]AMINO}- 1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE | A | 1ZLR | 0.78 | ![]() |
NA4![]() | 4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)- PYRIDIN-3-YL]-BENZOIC ACID | A,C | 1RHM | 0.72 | ![]() |
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 | 0.75 | ![]() |
NTM![]() | QUINOLINIC ACID | A | 3C2O | 0.76 | ![]() |
NTM![]() | QUINOLINIC ACID | A,B | 1QAP | 0.76 | ![]() |
NTM![]() | QUINOLINIC ACID | A,B,C,D,E,F | 1QPQ | 0.76 | ![]() |
NTM![]() | QUINOLINIC ACID | A,B,C | 2B7N | 0.76 | ![]() |
6DE![]() | 1-(2-CHLOROPHENYL)-3,5-DIMETHYL- 1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER | A,B | 1Y2H | 0.7 | ![]() |
225![]() | FELODIPINE | A | 2NNJ | 0.78 | ![]() |
MYT![]() | METYRAPONE | A | 1PHG | 0.71 | ![]() |
MYT![]() | METYRAPONE | A | 1W0G | 0.71 | ![]() |
PMC![]() | 3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1I43 | 0.7 | ![]() |
H1L![]() | (2S)-2-(4-{[3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN- 2-YL]OXY}PHENOXY)PROPANOIC ACID | A,B,C | 1UYS | 0.7 | ![]() |
PAA![]() | (N-METHYLPYRIDYL)ACETIC ACID | I | 1HBT | 0.72 | ![]() |
D1G![]() | N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE | A,B,C,D | 2FDU | 0.74 | ![]() |
D3G![]() | (5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE | A,B,C,D | 2FDW | 0.74 | ![]() |
BIN![]() | 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM | A | 1C8L | 0.75 | ![]() |
BIN![]() | 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM | A | 2AMV | 0.75 | ![]() |
BIN![]() | 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM | A | 3AMV | 0.75 | ![]() |
NFL![]() | 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID | A | 1TD7 | 0.74 | ![]() |
8ST![]() | N-(4-chlorophenyl)-2-[(pyridin- 4-ylmethyl)amino]benzamide | A | 3HNG | 0.72 | ![]() |
D2G![]() | N-METHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE | A,B,C,D | 2FDV | 0.73 | ![]() |
I5S![]() | ISOQUINOLINE-5-SULFONIC ACID (2- (2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE | A | 2JDO | 0.7 | ![]() |
I5S![]() | ISOQUINOLINE-5-SULFONIC ACID (2- (2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE | A | 2JDT | 0.7 | ![]() |
I5S![]() | ISOQUINOLINE-5-SULFONIC ACID (2- (2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE | A | 2C1A | 0.7 | ![]() |
PBO![]() | 1-PYRIDIN-3-YLBUTAN-1-ONE | A | 1PYJ | 0.74 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHQ | 0.81 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5L | 0.81 | ![]() |
NIO![]() | NICOTINIC ACID | A | 2F7F | 0.81 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5K | 0.81 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHY | 0.81 | ![]() |
NIO![]() | NICOTINIC ACID | A,B | 1FSL | 0.81 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5M | 0.81 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1LH6 | 0.81 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHO | 0.81 | ![]() |
NIO![]() | NICOTINIC ACID | A | 3CI8 | 0.81 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D | 1ICU | 0.81 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D,E,F, G,H | 3HRD | 0.81 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHA | 0.81 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHV | 0.81 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L4N | 0.81 | ![]() |
NIO![]() | NICOTINIC ACID | A | 2LH6 | 0.81 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1D0V | 0.81 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D | 1ICV | 0.81 | ![]() |
NIO![]() | NICOTINIC ACID | A,B | 1ICR | 0.81 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHR | 0.81 | ![]() |