BioLiP

PDB

BioLiP

PDB CCD ID:

A1CXB

Number of entries in BioLiP:

Chemical formula:

C10 H10 N2 O

InChI:

InChI=1S/C10H10N2O/c1-13-9-4-2-8(3-5-9)10-6-11-7-12-10/h2-7H,1H3,(H,11,12)

InChIKey:

WQROVAMZYXDXAB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 3.1.0.0	COc1ccc(cc1)c2c[nH]cn2
ACDLabs 14.52	COc1ccc(cc1)c1c[NH]cn1

Name:

4-(4-methoxyphenyl)-1H-imidazole

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).