Ligand |
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Ligand Name: OL-135 | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB578 | PubChem: 71665477 | |
Synonym(s):
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DrugBank: - | ChEMBL: CHEMBL3125304 | |
Canonical SMILES: BrCc1ccc(nc1)-c2cnc(o2)C(=O)CCCCCCc3ccccc3 | ||
Standard InChI: InChI=1S/C22H23BrN2O2/c23-14-18-12-13-19(24-15-18)21-16-25-22(27-21)20(26)11-7-2-1-4-8-17-9-5-3-6-10-17/h3,5-6,9-10,12-13,15-16H,1-2,4,7-8,11,14H2 | ||
Molecular Formula: C22H23BrN2O2 | Mol. Weight: 426.0943 | logP: 6.0074 |
HBD: 0 | HBA: 4 | |
#Rotatable Bonds: 10 | TPSA: 55.99 |
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) | 4J5P | BR1 | Ki : 12 nM | PDBBind | SHOW |