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BioLiP

PDB CCD ID: RA7
Number of entries in BioLiP: 2
Chemical formula: C8 H12 N2 O2 S
InChI: InChI=1S/C8H12N2O2S/c11-6-7-5-9-8(13-7)10-1-3-12-4-2-10/h5,11H,1-4,6H2
InChIKey: VRNQHSDSVNEOKR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C1CN(CCO1)c2sc(CO)cn2
CACTVS 3.385OCc1sc(nc1)N2CCOCC2
OpenEye OEToolkits 2.0.6c1c(sc(n1)N2CCOCC2)CO
Name:[2-(morpholin-4-yl)-1,3-thiazol-5-yl]methanol
ZINC: ZINC000012370715
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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