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BioLiP

PDB CCD ID: T4Z
Number of entries in BioLiP: 1
Chemical formula: C11 H14 Cl N O S2
InChI: InChI=1S/C11H14ClNOS2/c12-9-2-4-10(5-3-9)16-8-11(14)13-6-1-7-15/h2-5,15H,1,6-8H2,(H,13,14)
InChIKey: WUPWUIRPSWIHOS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1SCC(=O)NCCCS)Cl
CACTVS 3.385SCCCNC(=O)CSc1ccc(Cl)cc1
Name:2-(4-chlorophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)ethanamide
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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