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BioLiP

PDB CCD ID: VF3
Number of entries in BioLiP: 1
Chemical formula: C8 H11 N O3 S2
InChI: InChI=1S/C8H11NO3S2/c10-14(11,8-2-1-7-13-8)9-3-5-12-6-4-9/h1-2,7H,3-6H2
InChIKey: KUWMYLJUWYMTMY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(sc1)S(=O)(=O)N2CCOCC2
CACTVS 3.385O=[S](=O)(N1CCOCC1)c2sccc2
ACDLabs 12.01O=S(=O)(N1CCOCC1)c1cccs1
Name:4-(thiophene-2-sulfonyl)morpholine
ZINC: ZINC000002494253
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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