BioLiP

PDB

BioLiP

PDB CCD ID:

GQM

Number of entries in BioLiP:

Chemical formula:

C10 H10 N2 O2

InChI:

InChI=1S/C10H10N2O2/c1-14-7-2-3-8(10(13)6-7)9-4-5-11-12-9/h2-6,13H,1H3,(H,11,12)

InChIKey:

KCSNRNYLTIFFOZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1ccc(c(O)c1)c2cc[nH]n2
OpenEye OEToolkits 2.0.6	COc1ccc(c(c1)O)c2cc[nH]n2

Name:

5-methoxy-2-(1~{H}-pyrazol-3-yl)phenol

ZINC:

ZINC000000187296

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).