BioLiP

PDB

BioLiP

PDB CCD ID:

A1H0V

Number of entries in BioLiP:

Chemical formula:

C8 H7 Cl2 N5

InChI:

InChI=1S/C8H7Cl2N5/c9-3-1-5-6(2-4(3)10)14-8(13-5)15-7(11)12/h1-2H,(H5,11,12,13,14,15)

InChIKey:

XEBPUCFKEPJQFT-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC(=N)Nc1[nH]c2cc(Cl)c(Cl)cc2n1
OpenEye OEToolkits 2.0.7	c1c2c(cc(c1Cl)Cl)nc([nH]2)NC(=N)N
OpenEye OEToolkits 2.0.7	[H]/N=C(/N)\Nc1[nH]c2cc(c(cc2n1)Cl)Cl

Name:

1-[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]guanidine

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).