BioLiP

PDB

BioLiP

PDB CCD ID:

A1IY7

Number of entries in BioLiP:

Chemical formula:

C14 H12 N2 O

InChI:

InChI=1S/C14H12N2O/c1-9-6-7-10(8-13(9)17)14-11-4-2-3-5-12(11)15-16-14/h2-8,17H,1H3,(H,15,16)

InChIKey:

NWZPHRUFHASTQV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1ccc(cc1O)c2[nH]nc3ccccc23
OpenEye OEToolkits 2.0.7	Cc1ccc(cc1O)c2c3ccccc3n[nH]2

Name:

5-(2~{H}-indazol-3-yl)-2-methyl-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).