BioLiP

PDB

BioLiP

PDB CCD ID:

05Y

Number of entries in BioLiP:

Chemical formula:

C17 H18 N4 O

InChI:

InChI=1S/C17H18N4O/c1-2-16(22)20-17-19-14-8-3-4-9-15(14)21(17)12-10-13-7-5-6-11-18-13/h3-9,11H,2,10,12H2,1H3,(H,19,20,22)

InChIKey:

XNCNQSNDNANIRM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CCC(=O)Nc1nc2ccccc2n1CCc3ccccn3

Name:

~{N}-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]propanamide

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).