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BioLiP

PDB CCD ID: GFA
Number of entries in BioLiP: 1
Chemical formula: C21 H16 Cl N O3
InChI: InChI=1S/C21H16ClNO3/c22-16-11-12-19(18(13-16)21(25)15-7-3-1-4-8-15)26-14-20(24)23-17-9-5-2-6-10-17/h1-13H,14H2,(H,23,24)
InChIKey: DTGVSZSMDOMAEB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Clc2cc(c(OCC(=O)Nc1ccccc1)cc2)C(=O)c3ccccc3
OpenEye OEToolkits 1.5.0c1ccc(cc1)C(=O)c2cc(ccc2OCC(=O)Nc3ccccc3)Cl
CACTVS 3.341Clc1ccc(OCC(=O)Nc2ccccc2)c(c1)C(=O)c3ccccc3
Name:2-[4-chloro-2-(phenylcarbonyl)phenoxy]-N-phenylacetamide
ChEMBL: CHEMBL296939
DrugBank: DB07826
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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