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BioLiP Library

PDB CCD ID: AYS
Number of entries in BioLiP: 2
Chemical formula: C13 H11 Cl N2 O
InChI: InChI=1S/C13H11ClN2O/c14-9-5-7-10(8-6-9)16-12-4-2-1-3-11(12)13(15)17/h1-8,16H,(H2,15,17)
InChIKey: NHAYLAZTTIMSEA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=O)c1ccccc1Nc2ccc(Cl)cc2
OpenEye OEToolkits 2.0.6c1ccc(c(c1)C(=O)N)Nc2ccc(cc2)Cl
Name:2-[(4-chlorophenyl)amino]benzamide
ChEMBL: CHEMBL2152572
ZINC: ZINC000000481300
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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