BioLiP

PDB

BioLiP

PDB CCD ID:

130

Number of entries in BioLiP:

Chemical formula:

C20 H16 N4 O

InChI:

InChI=1S/C20H16N4O/c21-19(22)13-9-10-16-17(11-13)24-20(23-16)15-8-4-7-14(18(15)25)12-5-2-1-3-6-12/h1-11,25H,(H3,21,22)(H,23,24)

InChIKey:

LMGQGPVCSYOMNS-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	NC(=N)c1ccc2[nH]c(nc2c1)c3cccc(c3O)c4ccccc4
OpenEye OEToolkits 1.5.0	[H]N=C(c1ccc2c(c1)nc([nH]2)c3cccc(c3O)c4ccccc4)N
ACDLabs 10.04	Oc4c(c1ccccc1)cccc4c3nc2cc(ccc2n3)C(=[N@H])N
OpenEye OEToolkits 1.5.0	[H]/N=C(\c1ccc2c(c1)nc([nH]2)c3cccc(c3O)c4ccccc4)/N

Name:

2-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE

ChEMBL:

CHEMBL327715

DrugBank:

DB01725

ZINC:

ZINC000002047577

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).