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BioLiP Library

PDB CCD ID: AXV
Number of entries in BioLiP: 4
Chemical formula: C8 H6 N4
InChI: InChI=1S/C8H6N4/c9-5-10-8-11-6-3-1-2-4-7(6)12-8/h1-4H,(H2,10,11,12)
InChIKey: NYLIXUBOFQIMGV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N#CNc1[nH]c2ccccc2n1
OpenEye OEToolkits 2.0.6c1ccc2c(c1)[nH]c(n2)NC#N
Name:1~{H}-benzimidazol-2-ylcyanamide
ZINC: ZINC000000394716
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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