BioLiP

PDB

BioLiP

PDB CCD ID:

WZ9

Number of entries in BioLiP:

Chemical formula:

C14 H13 N3 O

InChI:

InChI=1S/C14H13N3O/c15-11-7-4-8-12-13(11)16-14(18)17(12)9-10-5-2-1-3-6-10/h1-8H,9,15H2,(H,16,18)

InChIKey:

RSMYBWVNPVYYCQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1cccc2N(Cc3ccccc3)C(=O)Nc12
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CN2c3cccc(c3NC2=O)N

Name:

7-azanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one

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).