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BioLiP

PDB CCD ID: S0V
Number of entries in BioLiP: 1
Chemical formula: C7 H9 N3 O2 S
InChI: InChI=1S/C7H9N3O2S/c11-7(6-5-13-9-8-6)10-1-3-12-4-2-10/h5H,1-4H2
InChIKey: BPUDGPLMUNVDOA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1c(nns1)C(=O)N2CCOCC2
CACTVS 3.385O=C(N1CCOCC1)c2csnn2
Name:morpholin-4-yl(1,2,3-thiadiazol-4-yl)methanone
ZINC: ZINC000001403376
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)(download the PDF file).
  • 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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