Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00480065
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 |
CDO![]() | 2-((R)-1-((S)-2-(N-(6-CARBAMIMIDOYLPYRIDIN- 3-YL)METHYLCARBAMOYL)-2H-PYRROL- 1(5H)-YL)-3-CYCLOHEXYL-1-OXOPROPAN- 2-YLAMINO)ACETIC ACID | H | 2ANM | 0.7 | ![]() |
APY![]() | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.73 | ![]() |
APY![]() | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.73 | ![]() |
DTR![]() | D-TRYPTOPHAN | A,B,C,D | 2R3C | 0.72 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1XY8 | 0.72 | ![]() |
DTR![]() | D-TRYPTOPHAN | A,B,C,H,K,L | 2R5D | 0.72 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 2V7K | 0.72 | ![]() |
DTR![]() | D-TRYPTOPHAN | A,D | 1CZQ | 0.72 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1DFY | 0.72 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1XY5 | 0.72 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1NXN | 0.72 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1TKF | 0.72 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1YL9 | 0.72 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1XXZ | 0.72 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1XY4 | 0.72 | ![]() |
DTR![]() | D-TRYPTOPHAN | A,D | 2Q3I | 0.72 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1QFB | 0.72 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1DFZ | 0.72 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1XY9 | 0.72 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1XY6 | 0.72 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 2SOC | 0.72 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 2JUE | 0.72 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1SOC | 0.72 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1YL8 | 0.72 | ![]() |
DTR![]() | D-TRYPTOPHAN | A,B,C,D,E,F, G,H | 1DDO | 0.72 | ![]() |
DTR![]() | D-TRYPTOPHAN | A,B | 2Q33 | 0.72 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1DG0 | 0.72 | ![]() |
DTR![]() | D-TRYPTOPHAN | A,B,C,H,K,L | 2R5B | 0.72 | ![]() |
4PP![]() | C,L | 1XKA | 0.71 | ![]() | |
4PP![]() | A,B,C,D | 1XKB | 0.71 | ![]() | |
3IB![]() | 3-INDOLEBUTYRIC ACID | A,B | 2AY6 | 0.71 | ![]() |
3IB![]() | 3-INDOLEBUTYRIC ACID | A,B,C,E | 2GJ6 | 0.71 | ![]() |
BP5![]() | 3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE | A | 2PXH | 0.8 | ![]() |
IAC![]() | 1H-INDOL-3-YLACETIC ACID | B | 2P1Q | 0.72 | ![]() |
IAC![]() | 1H-INDOL-3-YLACETIC ACID | A | 2OYF | 0.72 | ![]() |
IAC![]() | 1H-INDOL-3-YLACETIC ACID | A,B | 3FVU | 0.72 | ![]() |
IAC![]() | 1H-INDOL-3-YLACETIC ACID | B | 2P1P | 0.72 | ![]() |
2S2![]() | (2S)-2-(1H-indol-3-yl)hexanoic acid | B | 3C6O | 0.71 | ![]() |
FT6![]() | 6-FLUORO-L-TRYPTOPHAN | A,B | 2NW9 | 0.71 | ![]() |
2S3![]() | (2S)-2-(1H-indol-3-yl)pentanoic acid | B | 3C6P | 0.71 | ![]() |
3IO![]() | 3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID | A,B,C,D | 1XES | 0.71 | ![]() |
3IO![]() | 3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID | B,C,D | 1XET | 0.71 | ![]() |
286![]() | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.74 | ![]() |
C08![]() | difluoro(5-{2-[(5-octyl-1H-pyrrol- 2-yl-kappaN)methylidene]-2H-pyrrol- 5-yl-kappaN}pentanoato)boron | A,B | 2ZK6 | 0.73 | ![]() |
4FW![]() | 4-FLUOROTRYPTOPHANE | A | 1RM9 | 0.71 | ![]() |
IOP![]() | INDOLYLPROPIONIC ACID | A,B | 1AHF | 0.73 | ![]() |
IOP![]() | INDOLYLPROPIONIC ACID | A | 2OLI | 0.73 | ![]() |
IOP![]() | INDOLYLPROPIONIC ACID | A,B | 2AY5 | 0.73 | ![]() |
FTR![]() | FLUOROTRYPTOPHANE | A | 2JT8 | 0.71 | ![]() |
FTR![]() | FLUOROTRYPTOPHANE | A,B | 1NF0 | 0.71 | ![]() |
FTR![]() | FLUOROTRYPTOPHANE | A | 2JTZ | 0.71 | ![]() |
FTR![]() | FLUOROTRYPTOPHANE | A,B | 1I45 | 0.71 | ![]() |
FTR![]() | FLUOROTRYPTOPHANE | A,B | 2ZNX | 0.71 | ![]() |
FTR![]() | FLUOROTRYPTOPHANE | A,B | 1NEY | 0.71 | ![]() |
FTR![]() | FLUOROTRYPTOPHANE | A,B | 5FWG | 0.71 | ![]() |
GPI![]() | (2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3- DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE | A | 1F40 | 0.73 | ![]() |
HBP![]() | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2GYV | 0.72 | ![]() |
HBP![]() | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2JF0 | 0.72 | ![]() |
4IN![]() | 4-AMINO-L-TRYPTOPHAN | A,B | 2HXX | 0.7 | ![]() |
4IN![]() | 4-AMINO-L-TRYPTOPHAN | A | 1OXF | 0.7 | ![]() |
6PC![]() | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLN | 0.76 | ![]() |
6PC![]() | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLO | 0.76 | ![]() |