BioLiP

PDB

BioLiP

PDB CCD ID:

ABI

Number of entries in BioLiP:

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:

Software	SMILES
CACTVS 3.341	NC(=[NH2+])c1ccc2nc[nH]c2c1
OpenEye OEToolkits 1.5.0	c1cc2c(cc1C(=[NH2+])N)[nH]cn2
ACDLabs 10.04	n2c1ccc(cc1nc2)\C(=[NH2+])N

Name:

5-AMIDINO-BENZIMIDAZOLE

DrugBank:

DB01939

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

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).