Ligand |
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Ligand Name: PF-3845 | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB1224 | PubChem: 25154867 | |
Synonym(s):
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DrugBank: - | ChEMBL: CHEMBL1651524 | |
Canonical SMILES: FC(F)(F)c1ccc(nc1)Oc2cccc(c2)CC3CCN(CC3)C(=O)Nc4cccnc4 | ||
Standard InChI: InChI=1S/C24H23F3N4O2/c25-24(26,27)19-6-7-22(29-15-19)33-21-5-1-3-18(14-21)13-17-8-11-31(12-9-17)23(32)30-20-4-2-10-28-16-20/h1-7,10,14-17H,8-9,11-13H2,(H,30,32) | ||
Molecular Formula: C24H23F3N4O2 | Mol. Weight: 456.1773 | logP: 5.7743 |
HBD: 1 | HBA: 4 | |
#Rotatable Bonds: 5 | TPSA: 67.35 |
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) | 3LJ6 | PIX |
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