BioLiP

PDB

BioLiP

PDB CCD ID:

D4W

Number of entries in BioLiP:

Chemical formula:

C15 H11 Cl N2 O2

InChI:

InChI=1S/C15H11ClN2O2/c16-12-3-1-2-4-14(12)18-13(7-8-17-18)11-6-5-10(19)9-15(11)20/h1-9,19-20H

InChIKey:

NXZPXDLYOVGQMR-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1ccc(c(O)c1)c2ccnn2c3ccccc3Cl
OpenEye OEToolkits 2.0.6	c1ccc(c(c1)n2c(ccn2)c3ccc(cc3O)O)Cl

Name:

4-[2-(2-chlorophenyl)pyrazol-3-yl]benzene-1,3-diol

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).