BioLiP

PDB

BioLiP

PDB CCD ID:

G1Z

Number of entries in BioLiP:

Chemical formula:

C14 H14 F3 N3 O2 S

InChI:

InChI=1S/C14H14F3N3O2S/c15-14(16,17)8-6-9-11(10(7-8)19-22)23-13(18-12(9)21)20-4-2-1-3-5-20/h6-7,19,22H,1-5H2

InChIKey:

NFTFZGDVDRYPDT-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	ONc1cc(cc2C(=O)N=C(Sc12)N3CCCCC3)C(F)(F)F
OpenEye OEToolkits 2.0.6	c1c(cc(c2c1C(=O)N=C(S2)N3CCCCC3)NO)C(F)(F)F

Name:

8-(oxidanylamino)-2-piperidin-1-yl-6-(trifluoromethyl)-1,3-benzothiazin-4-one

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).