Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00763591
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 |
CII![]() | N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide | A | 2W0A | 0.78 | ![]() |
BP5![]() | 3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE | A | 2PXH | 0.77 | ![]() |
1CM![]() | (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE | A | 2CI0 | 0.77 | ![]() |
CM9![]() | CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)- 1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE | A | 2W09 | 0.75 | ![]() |
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 | 0.74 | ![]() |
4PP![]() | C,L | 1XKA | 0.74 | ![]() | |
4PP![]() | A,B,C,D | 1XKB | 0.74 | ![]() | |
C48![]() | N1-(1-DIMETHYLCARBAMOYL-2-PHENYL- ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL- ETHYL)-SUCCINAMIDE | A | 1CVZ | 0.74 | ![]() |
C92![]() | N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)- 4-methyl-benzene-1,3-dicarboxamide | A,B | 3CPB | 0.73 | ![]() |
DGB![]() | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2G97 | 0.73 | ![]() |
DGB![]() | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2GVJ | 0.73 | ![]() |
3IB![]() | 3-INDOLEBUTYRIC ACID | A,B | 2AY6 | 0.73 | ![]() |
3IB![]() | 3-INDOLEBUTYRIC ACID | A,B,C,E | 2GJ6 | 0.73 | ![]() |
1IN![]() | 1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL- CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]- 4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE- 2-CARBOXYLIC ACID TERT-BUTYLAMIDE | B | 2BPV | 0.72 | ![]() |
1IN![]() | 1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL- CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]- 4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE- 2-CARBOXYLIC ACID TERT-BUTYLAMIDE | B | 2BPW | 0.72 | ![]() |
GPI![]() | (2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3- DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE | A | 1F40 | 0.71 | ![]() |
517![]() | 1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2- YL)ETHYL]-2H-INDOL-5-YL}UREA | A | 2PE1 | 0.71 | ![]() |
DTR![]() | D-TRYPTOPHAN | A,B,C,D | 2R3C | 0.71 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1XY8 | 0.71 | ![]() |
DTR![]() | D-TRYPTOPHAN | A,B,C,H,K,L | 2R5D | 0.71 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 2V7K | 0.71 | ![]() |
DTR![]() | D-TRYPTOPHAN | A,D | 1CZQ | 0.71 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1DFY | 0.71 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1XY5 | 0.71 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1NXN | 0.71 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1TKF | 0.71 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1YL9 | 0.71 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1XXZ | 0.71 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1XY4 | 0.71 | ![]() |
DTR![]() | D-TRYPTOPHAN | A,D | 2Q3I | 0.71 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1QFB | 0.71 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1DFZ | 0.71 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1XY9 | 0.71 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1XY6 | 0.71 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 2SOC | 0.71 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 2JUE | 0.71 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1SOC | 0.71 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1YL8 | 0.71 | ![]() |
DTR![]() | D-TRYPTOPHAN | A,B,C,D,E,F, G,H | 1DDO | 0.71 | ![]() |
DTR![]() | D-TRYPTOPHAN | A,B | 2Q33 | 0.71 | ![]() |
DTR![]() | D-TRYPTOPHAN | A | 1DG0 | 0.71 | ![]() |
DTR![]() | D-TRYPTOPHAN | A,B,C,H,K,L | 2R5B | 0.71 | ![]() |
FXV![]() | METHYL-3-(4'-N-OXOPYRIDYLPHENOYL)- 3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE | A | 1KSN | 0.71 | ![]() |
8AP![]() | N~3~-BENZYLPYRIDINE-2,3-DIAMINE | A | 2OHM | 0.7 | ![]() |
2S3![]() | (2S)-2-(1H-indol-3-yl)pentanoic acid | B | 3C6P | 0.7 | ![]() |
IAG![]() | N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID | A,B | 1K8Z | 0.7 | ![]() |
IAG![]() | N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID | A,B | 1K7E | 0.7 | ![]() |
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 | ![]() |
11X![]() | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.7 | ![]() |