BioLiP

PDB

BioLiP

PDB CCD ID:

GHN

Number of entries in BioLiP:

Chemical formula:

C16 H17 F3 N2 O4 S2

InChI:

InChI=1S/C16H17F3N2O4S2/c1-2-25-15(22)9-14-21-13(10-26-14)11-3-5-12(6-4-11)27(23,24)20-8-7-16(17,18)19/h3-6,10,20H,2,7-9H2,1H3

InChIKey:

BOOGQWHJJOHPJE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCOC(=O)Cc1scc(n1)c2ccc(cc2)[S](=O)(=O)NCCC(F)(F)F
OpenEye OEToolkits 2.0.6	CCOC(=O)Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(F)(F)F

Name:

ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylsulfamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate

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).