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BioLiP Library

PDB CCD ID: AWG
Number of entries in BioLiP: 3
Chemical formula: C13 H12 N4
InChI: InChI=1S/C13H12N4/c14-9-5-1-2-6-10(9)15-13-16-11-7-3-4-8-12(11)17-13/h1-8H,14H2,(H2,15,16,17)
InChIKey: ZZDGNBWCSPZNRU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(c(c1)N)Nc2[nH]c3ccccc3n2
CACTVS 3.385Nc1ccccc1Nc2[nH]c3ccccc3n2
Name:~{N}2-(1~{H}-benzimidazol-2-yl)benzene-1,2-diamine
ChEMBL: CHEMBL1409855
ZINC: ZINC000000033917
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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