Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02533067
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 |
368![]() | (1R)-2-{[AMINO(IMINO)METHYL]AMINO}- 1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE | A | 1ZLR | 0.77 | ![]() |
S91![]() | [4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN- 2-YL}AMINO)PHENYL]ACETIC ACID | A | 2Z8C | 0.74 | ![]() |
S91![]() | [4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN- 2-YL}AMINO)PHENYL]ACETIC ACID | A | 2Z7L | 0.74 | ![]() |
BFU![]() | 1-(5-BROMO-PYRIDIN-2-YL)-3-[2-(6- FLUORO-2-HYDROXY-3-PROPIONYL-PHENYL)- CYCLOPROPYL]-UREA | A | 1EET | 0.71 | ![]() |
DZF![]() | 5-DEAZAFOLIC ACID | A,B | 2DHF | 0.71 | ![]() |
DZF![]() | 5-DEAZAFOLIC ACID | A,B | 1DYH | 0.71 | ![]() |
DZF![]() | 5-DEAZAFOLIC ACID | A,B,C,D | 1CDE | 0.71 | ![]() |
NIX![]() | NALIDIXIC ACID | A,B | 2BQ2 | 0.79 | ![]() |
G44![]() | 4-({[4-(3-METHYLBENZOYL)PYRIDIN- 2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE | C,D | 2PKS | 0.7 | ![]() |
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 | 0.78 | ![]() |
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 | ![]() |
PAQ![]() | 2-OXY-4-HYDROXY-5-(2-HYDRAZINOPYRIDINE)PHENYLALANINE | A,B,C,D | 2C11 | 0.76 | ![]() |
PAQ![]() | 2-OXY-4-HYDROXY-5-(2-HYDRAZINOPYRIDINE)PHENYLALANINE | A,B | 1SPU | 0.76 | ![]() |
PXG![]() | 3-[O-PHOSPHONOPYRIDOXYL]--AMINO- BENZOIC ACID | A | 1B9I | 0.7 | ![]() |
PMC![]() | 3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1I43 | 0.72 | ![]() |
NA4![]() | 4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)- PYRIDIN-3-YL]-BENZOIC ACID | A,C | 1RHM | 0.72 | ![]() |
PD2![]() | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B,C | 2W2I | 0.74 | ![]() |
PD2![]() | PYRIDINE-2,4-DICARBOXYLIC ACID | A | 2GKL | 0.74 | ![]() |
PD2![]() | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2VD7 | 0.74 | ![]() |
PD2![]() | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2JIG | 0.74 | ![]() |
7CS![]() | (3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT- 3-YL 1H-PYRROLO[2,3-B]PYRIDINE- 3-CARBOXYLATE | A | 2QHM | 0.71 | ![]() |
24X![]() | H,L | 2EC9 | 0.78 | ![]() | |
GPI![]() | (2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3- DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE | A | 1F40 | 0.7 | ![]() |
MYT![]() | METYRAPONE | A | 1PHG | 0.74 | ![]() |
MYT![]() | METYRAPONE | A | 1W0G | 0.74 | ![]() |
MMG![]() | 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin- 3-yl)benzoic acid | A | 3HDM | 0.71 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHQ | 0.82 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5L | 0.82 | ![]() |
NIO![]() | NICOTINIC ACID | A | 2F7F | 0.82 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5K | 0.82 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHY | 0.82 | ![]() |
NIO![]() | NICOTINIC ACID | A,B | 1FSL | 0.82 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5M | 0.82 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1LH6 | 0.82 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHO | 0.82 | ![]() |
NIO![]() | NICOTINIC ACID | A | 3CI8 | 0.82 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D | 1ICU | 0.82 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D,E,F, G,H | 3HRD | 0.82 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHA | 0.82 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHV | 0.82 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L4N | 0.82 | ![]() |
NIO![]() | NICOTINIC ACID | A | 2LH6 | 0.82 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1D0V | 0.82 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D | 1ICV | 0.82 | ![]() |
NIO![]() | NICOTINIC ACID | A,B | 1ICR | 0.82 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHR | 0.82 | ![]() |
NFL![]() | 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID | A | 1TD7 | 0.84 | ![]() |
SAS![]() | 2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID | A,B | 13GS | 0.71 | ![]() |
PD8![]() | PHOSPHORYLATED DIHYDROPTEROATE | A | 1W78 | 0.71 | ![]() |
4PP![]() | C,L | 1XKA | 0.7 | ![]() | |
4PP![]() | A,B,C,D | 1XKB | 0.7 | ![]() | |
3HM![]() | 5-hydroxy-6-methylpyridine-3-carboxylic acid | A,B | 3GMC | 0.73 | ![]() |
859![]() | 2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN- 4-YL}AMINO)BENZAMIDE | A,B | 2NO3 | 0.75 | ![]() |
PRR![]() | 3-(METHYL-PYRIDINIUM)ALANINE | H,I,J | 7KME | 0.72 | ![]() |
INO![]() | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCL | 0.72 | ![]() |
INO![]() | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCJ | 0.72 | ![]() |
D3E![]() | N-cyclopropyl-N-(trans-4-pyridin- 3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro- 1-hydroxy-1-methylethyl]benzamide | A,B,C,D | 3D3E | 0.72 | ![]() |
NNO![]() | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCK | 0.79 | ![]() |
NNO![]() | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCM | 0.79 | ![]() |
985![]() | (2E)-3-{3-[6-(4-methyl-1,4-diazepan- 1-yl)pyrazin-2-yl]phenyl}prop-2- enoic acid | A | 3F2A | 0.71 | ![]() |
PAA![]() | (N-METHYLPYRIDYL)ACETIC ACID | I | 1HBT | 0.74 | ![]() |
AXD![]() | 2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)- 5-ETHYNYLPYRROLIDIN-1-YL]-2-OXOETHYL}AMINO)- 4-METHYLPIPERIDIN-1-YL]ISONICOTINIC ACID | B | 2I03 | 0.72 | ![]() |
NTM![]() | QUINOLINIC ACID | A | 3C2O | 0.78 | ![]() |
NTM![]() | QUINOLINIC ACID | A,B | 1QAP | 0.78 | ![]() |
NTM![]() | QUINOLINIC ACID | A,B,C,D,E,F | 1QPQ | 0.78 | ![]() |
NTM![]() | QUINOLINIC ACID | A,B,C | 2B7N | 0.78 | ![]() |
PBO![]() | 1-PYRIDIN-3-YLBUTAN-1-ONE | A | 1PYJ | 0.74 | ![]() |
6PC![]() | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLN | 0.71 | ![]() |
6PC![]() | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLO | 0.71 | ![]() |