SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C12 H8 Cl F N2 O S2

InChI:

InChI=1S/C12H8ClFN2OS2/c13-9-7-2-1-6(14)5-8(7)19-10(9)11(17)16-12-15-3-4-18-12/h1-2,5H,3-4H2,(H,15,16,17)

InChIKey:

WIYIHXHWMONCNB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc2c(cc1F)sc(c2Cl)C(=O)NC3=NCCS3
CACTVS 3.385	Fc1ccc2c(Cl)c(sc2c1)C(=O)NC3=NCCS3

Name:

3-chloranyl-~{N}-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoranyl-1-benzothiophene-2-carboxamide

ChEMBL:

ZINC:

ZINC000003270391

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).