Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02998529
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 |
NI9 | 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM | A | 2OPM | 0.75 | |
NI9 | 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM | A,B | 3DYF | 0.75 | |
NI9 | 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM | A,B | 3DYG | 0.75 | |
NA9 | N-(CARBOXYMETHYL)-3-CYCLOHEXYL- D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN- 3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE | H,P | 2A2X | 0.71 | |
APY | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.74 | |
APY | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.74 | |
BP5 | 3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE | A | 2PXH | 0.71 | |
SB9 | HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE | P | 2AIE | 0.8 | |
6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLN | 0.75 | |
6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLO | 0.75 | |
275 | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.75 | |
CRZ | 4-(9H-CARBAZOL-9-YL)BUTANOIC ACID | A | 1TOW | 0.7 | |
PF7 | 4-(quinolin-3-ylmethyl)piperidine- 1-carboxylic acid | A,B | 2VYA | 0.71 | |
NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R, S,T | 1UW6 | 0.71 | |
NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.71 | |
NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.71 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.81 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D | 2RFQ | 0.72 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 2GA4 | 0.72 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 1R4P | 0.72 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PC2 | 0.75 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B,C,D | 1ARZ | 0.75 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PE7 | 0.75 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PES | 0.75 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B | 1C3V | 0.75 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B | 1P9L | 0.75 | |
PRR | 3-(METHYL-PYRIDINIUM)ALANINE | H,I,J | 7KME | 0.75 | |
3MP | 3-METHYLPYRIDINE | A | 1EUB | 0.71 | |
3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.71 | |
OBI | 1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME | A,B | 2GYW | 0.71 | |
PIU | 1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}- 2,4,6-TRIMETHYLPYRIDINIUM | A | 1ZE8 | 0.71 | |
M2C | (2S)-2-AMINO-4-(METHYLSULFANYL)- 1-PYRIDIN-2-YLBUTANE-1,1-DIOL | A | 1QXY | 0.7 | |
HBP | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2GYV | 0.78 | |
HBP | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2JF0 | 0.78 | |
QUI | 2-CARBOXYQUINOXALINE | A | 1PFE | 0.73 | |
QUI | 2-CARBOXYQUINOXALINE | A,B | 2DA8 | 0.73 | |
QUI | 2-CARBOXYQUINOXALINE | A,C,E,G | 2ADW | 0.73 | |
QUI | 2-CARBOXYQUINOXALINE | A | 1VS2 | 0.73 | |
QUI | 2-CARBOXYQUINOXALINE | A | 1XVN | 0.73 | |
QUI | 2-CARBOXYQUINOXALINE | A,B | 185D | 0.73 | |
QUI | 2-CARBOXYQUINOXALINE | A | 1XVK | 0.73 | |
QUI | 2-CARBOXYQUINOXALINE | A,C | 1XVR | 0.73 | |
QUI | 2-CARBOXYQUINOXALINE | A,B | 3GO3 | 0.73 | |
PAA | (N-METHYLPYRIDYL)ACETIC ACID | I | 1HBT | 0.75 |