BioLiP

PDB

BioLiP

PDB CCD ID:

KN0

Number of entries in BioLiP:

Chemical formula:

C21 H15 F3 N2 O2

InChI:

InChI=1S/C21H15F3N2O2/c22-21(23,24)17-8-4-7-16-19(15-10-9-14(27)11-18(15)28)25-26(20(16)17)12-13-5-2-1-3-6-13/h1-11,27-28H,12H2

InChIKey:

LXPUCQLYLWGFLV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1ccc(cc1)Cn2c3c(cccc3C(F)(F)F)c(n2)c4ccc(cc4O)O
ACDLabs 12.01	FC(F)(F)c1cccc2c1n(nc2c3ccc(O)cc3O)Cc4ccccc4
CACTVS 3.370	Oc1ccc(c(O)c1)c2nn(Cc3ccccc3)c4c2cccc4C(F)(F)F

Name:

4-[1-benzyl-7-(trifluoromethyl)-1H-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).