BioLiP

PDB

BioLiP

PDB CCD ID:

ORJ

Number of entries in BioLiP:

Chemical formula:

C16 H13 F N2 O3 S

InChI:

InChI=1S/C16H13FN2O3S/c1-18-15(21)6-9-2-4-11(8-13(9)20)22-16-19-12-5-3-10(17)7-14(12)23-16/h2-5,7-8,20H,6H2,1H3,(H,18,21)

InChIKey:

VNVALNOVDDOJNH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CNC(=O)Cc1ccc(cc1O)Oc2nc3ccc(cc3s2)F
ACDLabs 12.01	n2c(Oc1cc(c(CC(NC)=O)cc1)O)sc3c2ccc(c3)F
CACTVS 3.385	CNC(=O)Cc1ccc(Oc2sc3cc(F)ccc3n2)cc1O

Name:

2-{4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl}-N-methylacetamide

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).