BioLiP

PDB

BioLiP

PDB CCD ID:

6KN

Number of entries in BioLiP:

Chemical formula:

C14 H10 F3 N3

InChI:

InChI=1S/C14H10F3N3/c1-8-6-18-3-2-10(8)11-4-9(14(15,16)17)5-13-12(11)7-19-20-13/h2-7H,1H3,(H,19,20)

InChIKey:

SERKGWYXQDCJCM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	Cc1cnccc1c2cc(cc3c2cn[nH]3)C(F)(F)F
ACDLabs 12.01	c3cc(c2c1cnnc1cc(c2)C(F)(F)F)c(C)cn3
CACTVS 3.385	Cc1cnccc1c2cc(cc3[nH]ncc23)C(F)(F)F

Name:

4-(3-methylpyridin-4-yl)-6-(trifluoromethyl)-1H-indazole

ChEMBL:

CHEMBL3798034

ZINC:

ZINC000204911738

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).