BioLiP

PDB

BioLiP

PDB CCD ID:

DKU

Number of entries in BioLiP:

Chemical formula:

C25 H20 N2 O2

InChI:

InChI=1S/C25H20N2O2/c1-17-11-13-22-21(15-17)26-24(27(22)19-7-3-2-4-8-19)14-12-18-16-29-23-10-6-5-9-20(23)25(18)28/h2-11,13,15-16H,12,14H2,1H3

InChIKey:

HMWKWNLDAUQIGF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1ccc2c(c1)nc(n2c3ccccc3)CCC4=COc5ccccc5C4=O
CACTVS 3.385	Cc1ccc2n(c(CCC3=COc4ccccc4C3=O)nc2c1)c5ccccc5

Name:

3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one

ChEMBL:

CHEMBL5280875

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).