BioLiP

PDB

BioLiP

PDB CCD ID:

UPK

Number of entries in BioLiP:

Chemical formula:

C16 H12 N2 O2

InChI:

InChI=1S/C16H12N2O2/c19-11-13-6-7-14(10-15(13)20)18-9-8-17-16(18)12-4-2-1-3-5-12/h1-11,20H

InChIKey:

KMBWPCASOARYEQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2nccn2c3ccc(c(c3)O)C=O
CACTVS 3.385	Oc1cc(ccc1C=O)n2ccnc2c3ccccc3

Name:

2-(hydroxymethyl)-5-(2-phenylimidazol-1-yl)phenol

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).