BioLiP

PDB

BioLiP

PDB CCD ID:

6WL

Number of entries in BioLiP:

Chemical formula:

C15 H11 F3 N2 O2

InChI:

InChI=1S/C15H11F3N2O2/c1-20-14-10(3-2-4-11(14)15(16,17)18)13(19-20)9-6-5-8(21)7-12(9)22/h2-7,21-22H,1H3

InChIKey:

GRCDZFUAPCSCFH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.5	Cn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O
CACTVS 3.385	Cn1nc(c2ccc(O)cc2O)c3cccc(c13)C(F)(F)F

Name:

4-[1-methyl-7-(trifluoromethyl)indazol-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).