BioLiP

PDB

BioLiP

PDB CCD ID:

62O

Number of entries in BioLiP:

Chemical formula:

C11 H10 N4 O

InChI:

InChI=1S/C11H10N4O/c1-16-7-2-3-8-10(6-7)14-11(13-8)9-4-5-12-15-9/h2-6H,1H3,(H,12,15)(H,13,14)

InChIKey:

KSQSJEOPBMYGOB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1ccc2nc([nH]c2c1)c3[nH]ncc3
ACDLabs 12.01	c12c(ccc(OC)c1)nc(n2)c3ccnn3
OpenEye OEToolkits 2.0.4	COc1ccc2c(c1)[nH]c(n2)c3ccn[nH]3

Name:

6-methoxy-2-(1H-pyrazol-5-yl)-1H-benzimidazole

ChEMBL:

CHEMBL3815097

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).