BioLiP

PDB

BioLiP

PDB CCD ID:

JRT

Number of entries in BioLiP:

Chemical formula:

C17 H17 N3 O

InChI:

InChI=1S/C17H17N3O/c21-17(18-11-10-14-6-2-1-3-7-14)12-20-13-19-15-8-4-5-9-16(15)20/h1-9,13H,10-12H2,(H,18,21)

InChIKey:

CAHHWKPTYNNMOV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CCNC(=O)Cn2cnc3c2cccc3
CACTVS 3.385	O=C(Cn1cnc2ccccc12)NCCc3ccccc3

Name:

2-(benzimidazol-1-yl)-~{N}-(2-phenylethyl)ethanamide

ZINC:

ZINC000000107144

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).