BioLiP

PDB

BioLiP

PDB CCD ID:

BZC

Number of entries in BioLiP:

Chemical formula:

C15 H13 N3 O2

InChI:

InChI=1S/C15H13N3O2/c1-20-10-5-2-4-9(8-10)15-17-12-7-3-6-11(14(16)19)13(12)18-15/h2-8H,1H3,(H2,16,19)(H,17,18)

InChIKey:

NVVWVYYHTKCIAE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	COc1cccc(c1)c2[nH]c3cccc(c3n2)C(=O)N
CACTVS 3.341	COc1cccc(c1)c2[nH]c3cccc(C(N)=O)c3n2
ACDLabs 10.04	O=C(c3cccc1c3nc(n1)c2cccc(OC)c2)N

Name:

2-(3'-METHOXYPHENYL) BENZIMIDAZOLE-4-CARBOXAMIDE

ChEMBL:

CHEMBL134022

DrugBank:

DB04010

ZINC:

ZINC000011565446

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).