Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02167148
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 |
DAY![]() | 1-[(1R,2R,3aS,3bS,10aR,10bS,11S,12aS)- 1,11-dihydroxy-2,5,10a,12a-tetramethyl- 7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a- dodecahydrocyclopenta[5,6]naphtho[1,2- f]indazol-1-yl]-2-hydroxyethanone | A | 3BQD | 0.72 | ![]() |
4PP![]() | C,L | 1XKA | 0.76 | ![]() | |
4PP![]() | A,B,C,D | 1XKB | 0.76 | ![]() | |
GG5![]() | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL- 4-YL]PYRIDINE | A | 3HVC | 0.71 | ![]() |
2S3![]() | (2S)-2-(1H-indol-3-yl)pentanoic acid | B | 3C6P | 0.72 | ![]() |
DTR![]() | D-TRYPTOPHAN | A,B,C,D | 2R3C | 0.73 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1XY8 | 0.73 | ![]() |
DTR![]() | D-TRYPTOPHAN | A,B,C,H,K,L | 2R5D | 0.73 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 2V7K | 0.73 | ![]() |
DTR![]() | D-TRYPTOPHAN | A,D | 1CZQ | 0.73 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1DFY | 0.73 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1XY5 | 0.73 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1NXN | 0.73 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1TKF | 0.73 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1YL9 | 0.73 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1XXZ | 0.73 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1XY4 | 0.73 | ![]() |
DTR![]() | D-TRYPTOPHAN | A,D | 2Q3I | 0.73 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1QFB | 0.73 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1DFZ | 0.73 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1XY9 | 0.73 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1XY6 | 0.73 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 2SOC | 0.73 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 2JUE | 0.73 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1SOC | 0.73 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1YL8 | 0.73 | ![]() |
DTR![]() | D-TRYPTOPHAN | A,B,C,D,E,F, G,H | 1DDO | 0.73 | ![]() |
DTR![]() | D-TRYPTOPHAN | A,B | 2Q33 | 0.73 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1DG0 | 0.73 | ![]() |
DTR![]() | D-TRYPTOPHAN | A,B,C,H,K,L | 2R5B | 0.73 | ![]() |
4QC![]() | 3-[6-{2'-[(DIMETHYLAMINO)METHYL]BIPHENYL- 4-YL}-7-OXO-3-(TRIFLUOROMETHYL)- 4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4- C]PYRIDIN-1-YL]BENZAMIDE | A | 2G00 | 0.72 | ![]() |
4FW![]() | 4-FLUOROTRYPTOPHANE | A | 1RM9 | 0.74 | ![]() |
FTR![]() | FLUOROTRYPTOPHANE | A | 2JT8 | 0.74 | ![]() |
FTR![]() | FLUOROTRYPTOPHANE | A,B | 1NF0 | 0.74 | ![]() |
FTR![]() | FLUOROTRYPTOPHANE | A | 2JTZ | 0.74 | ![]() |
FTR![]() | FLUOROTRYPTOPHANE | A,B | 1I45 | 0.74 | ![]() |
FTR![]() | FLUOROTRYPTOPHANE | A,B | 2ZNX | 0.74 | ![]() |
FTR![]() | FLUOROTRYPTOPHANE | A,B | 1NEY | 0.74 | ![]() |
FTR![]() | FLUOROTRYPTOPHANE | A,B | 5FWG | 0.74 | ![]() |
3IB![]() | 3-INDOLEBUTYRIC ACID | A,B | 2AY6 | 0.72 | ![]() |
3IB![]() | 3-INDOLEBUTYRIC ACID | A,B,C,E | 2GJ6 | 0.72 | ![]() |
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 | ![]() |
FT6![]() | 6-FLUORO-L-TRYPTOPHAN | A,B | 2NW9 | 0.74 | ![]() |
4IN![]() | 4-AMINO-L-TRYPTOPHAN | A,B | 2HXX | 0.74 | ![]() |
4IN![]() | 4-AMINO-L-TRYPTOPHAN | A | 1OXF | 0.74 | ![]() |
2S8![]() | (2S)-8-[(tert-butoxycarbonyl)amino]- 2-(1H-indol-3-yl)octanoic acid | B | 3C6N | 0.72 | ![]() |
BP5![]() | 3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE | A | 2PXH | 0.72 | ![]() |
2FR![]() | 3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}- 1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide | A | 3DBC | 0.72 | ![]() |
1CM![]() | (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE | A | 2CI0 | 0.74 | ![]() |
2S2![]() | (2S)-2-(1H-indol-3-yl)hexanoic acid | B | 3C6O | 0.72 | ![]() |
IAC![]() | 1H-INDOL-3-YLACETIC ACID | B | 2P1Q | 0.71 | ![]() |
IAC![]() | 1H-INDOL-3-YLACETIC ACID | A | 2OYF | 0.71 | ![]() |
IAC![]() | 1H-INDOL-3-YLACETIC ACID | A,B | 3FVU | 0.71 | ![]() |
IAC![]() | 1H-INDOL-3-YLACETIC ACID | B | 2P1P | 0.71 | ![]() |
33A![]() | N-BENZYL-4-[4-(3-CHLOROPHENYL)- 1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE | A | 2OK1 | 0.7 | ![]() |
33A![]() | N-BENZYL-4-[4-(3-CHLOROPHENYL)- 1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE | A | 2OJI | 0.7 | ![]() |
19A![]() | N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL- 3-YL)-1H-PYRROLE-2-CARBOXAMIDE | A | 2OJG | 0.72 | ![]() |