BioLiP

PDB

BioLiP

PDB CCD ID:

BAI

Number of entries in BioLiP:

Chemical formula:

C16 H14 N6

InChI:

InChI=1S/C16H14N6/c17-16(18)9-5-6-12-13(7-9)22-15(21-12)8-14-19-10-3-1-2-4-11(10)20-14/h1-7H,8H2,(H3,17,18)(H,19,20)(H,21,22)

InChIKey:

KKJYVDXDZURHMA-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	[N@H]=C(c4ccc1c(nc(n1)Cc2nc3ccccc3n2)c4)N
CACTVS 3.341	NC(=N)c1ccc2[nH]c(Cc3[nH]c4ccccc4n3)nc2c1
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)[nH]c(n2)Cc3[nH]c4ccc(cc4n3)C(=N)N

Name:

(5-AMIDINO-2-BENZIMIDAZOLYL)(2-BENZIMIDAZOLYL)METHANE;
HEMI-BABIM

ChEMBL:

CHEMBL46148

DrugBank:

DB01767

ZINC:

ZINC000002047318

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).