Ligand |
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Ligand Name: 6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB782 | PubChem: 16110715 | |
Synonym(s):
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DrugBank: - | ChEMBL: CHEMBL219942 | |
Canonical SMILES: OC(=O)c1cccc(n1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1 | ||
Standard InChI: InChI=1S/C22H22N2O4/c25-19(14-7-2-1-4-9-16-10-5-3-6-11-16)21-23-15-20(28-21)17-12-8-13-18(24-17)22(26)27/h3,5-6,8,10-13,15H,1-2,4,7,9,14H2,(H,26,27) | ||
Molecular Formula: C22H22N2O4 | Mol. Weight: 378.15796 | logP: 4.8107 |
HBD: 1 | HBA: 5 | |
#Rotatable Bonds: 10 | TPSA: 93.29 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Fatty-acid amide hydrolase 1 | P97612 (FAAH1_RAT) | Rattus norvegicus (Rat) | 3K7F | F2C | Ki : 14.5 nM, IC50 : 100 nM, Ki : 10.3 nM, Ki : 26 nM, Ki : 20 nM, Ki : 10.4 nM | BindingDB | SHOW |