Ligand |
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Ligand Name: methyl (R)-(6Z,9Z,12Z)-octadeca-6,9,12-trien-1-ylphosphonofluoridate | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB356 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: CCCCC/C=C/C/C=C\C/C=C\CCCCC[P@](=O)(F)OC | ||
Standard InChI: InChI=1S/C19H34FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20,21)22-2/h7-8,10-11,13-14H,3-6,9,12,15-19H2,1-2H3/b8-7+,11-10-,14-13-/t23-/m1/s1 | ||
Molecular Formula: C19H34FO2P | Mol. Weight: 344.22806 | logP: 7.3849 |
HBD: 0 | HBA: 2 | |
#Rotatable Bonds: 15 | TPSA: 26.3 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Fatty acid synthase | P49327 (FAS_HUMAN) | Homo sapiens (Human) | 3TJM | 7FA | Ki : 6360 nM | PDBBind | SHOW |