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BioLiP

PDB CCD ID: 3E0
Number of entries in BioLiP: 1
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:
SoftwareSMILES
ACDLabs 12.01Fc3cccc(c1nc(sc1)N2CCOCC2)c3OC
CACTVS 3.385COc1c(F)cccc1c2csc(n2)N3CCOCC3
OpenEye OEToolkits 1.9.2COc1c(cccc1F)c2csc(n2)N3CCOCC3
Name:4-[4-(3-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine
ZINC: ZINC000263621008
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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