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BioLiP

PDB CCD ID: 7ZG
Number of entries in BioLiP: 1
Chemical formula: C15 H13 Cl N4 O
InChI: InChI=1S/C15H13ClN4O/c16-10-3-1-2-9(6-10)7-14(21)18-11-4-5-12-13(8-11)20-15(17)19-12/h1-6,8H,7H2,(H,18,21)(H3,17,19,20)
InChIKey: HFZZWILRMJMUJK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(cc(c1)Cl)CC(=O)Nc2ccc3c(c2)[nH]c(n3)N
CACTVS 3.385Nc1[nH]c2cc(NC(=O)Cc3cccc(Cl)c3)ccc2n1
Name:N-(2-amino-1H-benzimidazol-5-yl)-2-(3-chlorophenyl)acetamide
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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