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BioLiP

PDB CCD ID: ABI
Number of entries in BioLiP: 1
Chemical formula: C8 H9 N4
InChI: InChI=1S/C8H8N4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-4H,(H3,9,10)(H,11,12)/p+1
InChIKey: UHGFPMUGEQINGV-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
CACTVS 3.341NC(=[NH2+])c1ccc2nc[nH]c2c1
OpenEye OEToolkits 1.5.0c1cc2c(cc1C(=[NH2+])N)[nH]cn2
ACDLabs 10.04n2c1ccc(cc1nc2)\C(=[NH2+])N
Name:5-AMIDINO-BENZIMIDAZOLE
DrugBank: DB01939
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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