Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02258040
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 |
DTR![]() | D-TRYPTOPHAN | A,B,C,D | 2R3C | 0.7 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1XY8 | 0.7 | ![]() |
DTR![]() | D-TRYPTOPHAN | A,B,C,H,K,L | 2R5D | 0.7 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 2V7K | 0.7 | ![]() |
DTR![]() | D-TRYPTOPHAN | A,D | 1CZQ | 0.7 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1DFY | 0.7 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1XY5 | 0.7 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1NXN | 0.7 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1TKF | 0.7 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1YL9 | 0.7 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1XXZ | 0.7 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1XY4 | 0.7 | ![]() |
DTR![]() | D-TRYPTOPHAN | A,D | 2Q3I | 0.7 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1QFB | 0.7 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1DFZ | 0.7 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1XY9 | 0.7 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1XY6 | 0.7 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 2SOC | 0.7 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 2JUE | 0.7 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1SOC | 0.7 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1YL8 | 0.7 | ![]() |
DTR![]() | D-TRYPTOPHAN | A,B,C,D,E,F, G,H | 1DDO | 0.7 | ![]() |
DTR![]() | D-TRYPTOPHAN | A,B | 2Q33 | 0.7 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1DG0 | 0.7 | ![]() |
DTR![]() | D-TRYPTOPHAN | A,B,C,H,K,L | 2R5B | 0.7 | ![]() |
PHN![]() | 1,10-PHENANTHROLINE | A | 1LIH | 0.75 | ![]() |
PHN![]() | 1,10-PHENANTHROLINE | A | 2LIG | 0.75 | ![]() |
PHN![]() | 1,10-PHENANTHROLINE | A,B | 2FU7 | 0.75 | ![]() |
IMQ![]() | (2R,3R,4S)-2-(hydroxymethyl)-1- (quinolin-8-ylmethyl)pyrrolidine- 3,4-diol | A,B | 3EPX | 0.71 | ![]() |
APY![]() | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.73 | ![]() |
APY![]() | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.73 | ![]() |
6PC![]() | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLN | 0.73 | ![]() |
6PC![]() | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLO | 0.73 | ![]() |
NPV![]() | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A,B | 2QYN | 0.71 | ![]() |
NPV![]() | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A,B | 2QYK | 0.71 | ![]() |
NPV![]() | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A | 2QYL | 0.71 | ![]() |
275![]() | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.73 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A | 1PFE | 0.83 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A,B | 2DA8 | 0.83 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A,C,E,G | 2ADW | 0.83 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A | 1VS2 | 0.83 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A | 1XVN | 0.83 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A,B | 185D | 0.83 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A | 1XVK | 0.83 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A,C | 1XVR | 0.83 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A,B | 3GO3 | 0.83 | ![]() |
IAC![]() | 1H-INDOL-3-YLACETIC ACID | B | 2P1Q | 0.7 | ![]() |
IAC![]() | 1H-INDOL-3-YLACETIC ACID | A | 2OYF | 0.7 | ![]() |
IAC![]() | 1H-INDOL-3-YLACETIC ACID | A,B | 3FVU | 0.7 | ![]() |
IAC![]() | 1H-INDOL-3-YLACETIC ACID | B | 2P1P | 0.7 | ![]() |
PYA![]() | 3-(1,10-PHENANTHROL-2-YL)-L-ALANINE | A | 1HCW | 0.81 | ![]() |
DPT![]() | 4,7-DIMETHYL-[1,10]PHENANTHROLINE | A,B | 1I53 | 0.74 | ![]() |
NPH![]() | CYSTEINE-METHYLENE-CARBAMOYL-1,10- PHENANTHROLINE | A | 1A18 | 0.71 | ![]() |
QMS![]() | N-(QUINOLIN-8-YL)METHANESULFONAMIDE | A | 2BB7 | 0.73 | ![]() |
HBP![]() | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2GYV | 0.71 | ![]() |
HBP![]() | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2JF0 | 0.71 | ![]() |
286![]() | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.71 | ![]() |
IOP![]() | INDOLYLPROPIONIC ACID | A,B | 1AHF | 0.71 | ![]() |
IOP![]() | INDOLYLPROPIONIC ACID | A | 2OLI | 0.71 | ![]() |
IOP![]() | INDOLYLPROPIONIC ACID | A,B | 2AY5 | 0.71 | ![]() |
34Q![]() | (3R,4R)-4-(pyrrolidin-1-ylcarbonyl)- 1-(quinoxalin-2-ylcarbonyl)pyrrolidin- 3-amine | A | 2RIP | 0.73 | ![]() |
PAA![]() | (N-METHYLPYRIDYL)ACETIC ACID | I | 1HBT | 0.77 | ![]() |
BP5![]() | 3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE | A | 2PXH | 0.78 | ![]() |
ITR![]() | IMINO-TRYPTOPHAN | A,B,C,D,E,F, G,H | 1DDO | 0.71 | ![]() |
PF7![]() | 4-(quinolin-3-ylmethyl)piperidine- 1-carboxylic acid | A,B | 2VYA | 0.74 | ![]() |
QYT![]() | (5E)-5-(QUINOXALIN-6-YLMETHYLENE)- 1,3-THIAZOLIDINE-2,4-DIONE | A | 2A5U | 0.72 | ![]() |
4PP![]() | C,L | 1XKA | 0.7 | ![]() | |
4PP![]() | A,B,C,D | 1XKB | 0.7 | ![]() | |
PRR![]() | 3-(METHYL-PYRIDINIUM)ALANINE | H,I,J | 7KME | 0.75 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHQ | 0.71 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5L | 0.71 | ![]() |
NIO![]() | NICOTINIC ACID | A | 2F7F | 0.71 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5K | 0.71 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHY | 0.71 | ![]() |
NIO![]() | NICOTINIC ACID | A,B | 1FSL | 0.71 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5M | 0.71 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1LH6 | 0.71 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHO | 0.71 | ![]() |
NIO![]() | NICOTINIC ACID | A | 3CI8 | 0.71 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D | 1ICU | 0.71 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D,E,F, G,H | 3HRD | 0.71 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHA | 0.71 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHV | 0.71 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L4N | 0.71 | ![]() |
NIO![]() | NICOTINIC ACID | A | 2LH6 | 0.71 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1D0V | 0.71 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D | 1ICV | 0.71 | ![]() |
NIO![]() | NICOTINIC ACID | A,B | 1ICR | 0.71 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHR | 0.71 | ![]() |
PYB![]() | 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID | A,D,E,G,I,J | 1S32 | 0.72 | ![]() |
PYB![]() | 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID | D,I,J | 1M18 | 0.72 | ![]() |
PYB![]() | 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID | E,I,J | 1M1A | 0.72 | ![]() |
PYB![]() | 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID | E,I,J | 1M19 | 0.72 | ![]() |