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BioLiP Library

PDB CCD ID: 9JH
Number of entries in BioLiP: 2
Chemical formula: C14 H13 N O
InChI: InChI=1S/C14H13NO/c15-14(16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,15,16)
InChIKey: BGTIIRYHWGADFD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(cc1)Cc2ccc(cc2)C(=O)N
CACTVS 3.385NC(=O)c1ccc(Cc2ccccc2)cc1
Name:4-BENZYLBENZAMIDE
ChEMBL: CHEMBL4536076
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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