BioLiP

PDB

BioLiP

PDB CCD ID:

Q1B

Number of entries in BioLiP:

Chemical formula:

C9 H6 F3 N O2

InChI:

InChI=1S/C9H6F3NO2/c10-9(11,12)15-6-1-2-7-5(3-6)4-8(14)13-7/h1-3H,4H2,(H,13,14)

InChIKey:

NJZFZLIOCDIELL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2c(cc1OC(F)(F)F)CC(=O)N2
CACTVS 3.385	FC(F)(F)Oc1ccc2NC(=O)Cc2c1

Name:

5-(trifluoromethyloxy)-1,3-dihydroindol-2-one

ZINC:

ZINC000012471834

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).