BioLiP

PDB

BioLiP

PDB CCD ID:

A1CVC

Number of entries in BioLiP:

Chemical formula:

C11 H10 N2 O

InChI:

InChI=1S/C11H10N2O/c1-9(14)10-2-4-11(5-3-10)13-7-6-12-8-13/h2-8H,1H3

InChIKey:

GAIQQJIMVVUTQN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 3.1.0.0	CC(=O)c1ccc(cc1)n2ccnc2
ACDLabs 14.52	CC(=O)c1ccc(cc1)n1ccnc1

Name:

1-[4-(1H-imidazol-1-yl)phenyl]ethan-1-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).