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BioLiP

PDB CCD ID: ZLT
Number of entries in BioLiP: 3
Chemical formula: C10 H12 N2 O3 S
InChI: InChI=1S/C10H12N2O3S/c13-9(8-2-1-5-15-8)11-10(16)12-3-6-14-7-4-12/h1-2,5H,3-4,6-7H2,(H,11,13,16)
InChIKey: JQJIETSPJDDSJO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C(NC(=S)N1CCOCC1)c2occc2
OpenEye OEToolkits 2.0.7c1cc(oc1)C(=O)NC(=S)N2CCOCC2
Name:~{N}-morpholin-4-ylcarbothioylfuran-2-carboxamide
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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