BioLiP

PDB

BioLiP

PDB CCD ID:

3E0

Number of entries in BioLiP:

Chemical formula:

C14 H15 F N2 O2 S

InChI:

InChI=1S/C14H15FN2O2S/c1-18-13-10(3-2-4-11(13)15)12-9-20-14(16-12)17-5-7-19-8-6-17/h2-4,9H,5-8H2,1H3

InChIKey:

RWYMBUBQZGZFES-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Fc3cccc(c1nc(sc1)N2CCOCC2)c3OC
CACTVS 3.385	COc1c(F)cccc1c2csc(n2)N3CCOCC3
OpenEye OEToolkits 1.9.2	COc1c(cccc1F)c2csc(n2)N3CCOCC3

Name:

4-[4-(3-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine

ZINC:

ZINC000263621008

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).