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BioLiP Library

PDB CCD ID: 7IV
Number of entries in BioLiP: 1
Chemical formula: C15 H14 Cl N O2
InChI: InChI=1S/C15H14ClNO2/c16-13-6-8-14(9-7-13)17-15(18)11-19-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)
InChIKey: CELZHXIAORJPBI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)COCC(=O)Nc2ccc(cc2)Cl
CACTVS 3.385Clc1ccc(NC(=O)COCc2ccccc2)cc1
Name:~{N}-(4-chlorophenyl)-2-phenylmethoxy-ethanamide
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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