Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02254420
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 | 0.72 | |
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 | |
OAI | 6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID | A | 1C83 | 0.7 | |
HLO | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEY | 0.71 | |
HLO | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEZ | 0.71 | |
3HM | 5-hydroxy-6-methylpyridine-3-carboxylic acid | A,B | 3GMC | 0.8 | |
PAA | (N-METHYLPYRIDYL)ACETIC ACID | I | 1HBT | 0.71 | |
NTM | QUINOLINIC ACID | A | 3C2O | 0.87 | |
NTM | QUINOLINIC ACID | A,B | 1QAP | 0.87 | |
NTM | QUINOLINIC ACID | A,B,C,D,E,F | 1QPQ | 0.87 | |
NTM | QUINOLINIC ACID | A,B,C | 2B7N | 0.87 | |
NNO | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCK | 0.78 | |
NNO | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCM | 0.78 | |
D2G | N-METHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE | A,B,C,D | 2FDV | 0.74 | |
GPI | (2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3- DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE | A | 1F40 | 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 | 0.76 | |
D1G | N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE | A,B,C,D | 2FDU | 0.75 | |
DPY | A,B | 1JES | 0.73 | ||
BIN | 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM | A | 1C8L | 0.73 | |
BIN | 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM | A | 2AMV | 0.73 | |
BIN | 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM | A | 3AMV | 0.73 | |
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 | |
D3G | (5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE | A,B,C,D | 2FDW | 0.72 | |
NFL | 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID | A | 1TD7 | 0.7 | |
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 | |
NA4 | 4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)- PYRIDIN-3-YL]-BENZOIC ACID | A,C | 1RHM | 0.71 | |
6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLN | 0.81 | |
6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLO | 0.81 |