BioLiP

PDB

BioLiP

PDB CCD ID:

ZI9

Number of entries in BioLiP:

Chemical formula:

C16 H9 F2 N3 O2 S

InChI:

InChI=1S/C16H9F2N3O2S/c1-2-8-5-10-16(20-6-8)24-12(21-10)7-23-11-4-3-9(17)13(14(11)18)15(19)22/h1,3-6H,7H2,(H2,19,22)

InChIKey:

SCUOMBYZGFZRIF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C#Cc1cc2c(nc1)sc(n2)COc3ccc(c(c3F)C(=O)N)F
CACTVS 3.385	NC(=O)c1c(F)ccc(OCc2sc3ncc(cc3n2)C#C)c1F

Name:

3-[(6-ethynyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-bis(fluoranyl)benzamide

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).