BioLiP

PDB

BioLiP

PDB CCD ID:

2O6

Number of entries in BioLiP:

Chemical formula:

C8 H5 F3 N2 O

InChI:

InChI=1S/C8H5F3N2O/c9-8(10,11)4-1-2-6-5(3-4)7(12)13-14-6/h1-3H,(H2,12,13)

InChIKey:

LSKOZQNIAMSAIB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1cc2c(cc1C(F)(F)F)c(no2)N
CACTVS 3.385	Nc1noc2ccc(cc12)C(F)(F)F
ACDLabs 12.01	FC(F)(F)c2cc1c(onc1N)cc2

Name:

5-(trifluoromethyl)-1,2-benzoxazol-3-amine

ZINC:

ZINC000039470954

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).