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BioLiP

PDB CCD ID: S5G
Number of entries in BioLiP: 1
Chemical formula: C6 H12 N2 O S2
InChI: InChI=1S/C6H12N2OS2/c1-6(2)4(7-9)11-5(10)8(6)3/h4,7,9H,1-3H3/t4-/m1/s1
InChIKey: JXYKLMIZMNTBPT-SCSAIBSYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN1C(=S)S[C@@H](NO)C1(C)C
OpenEye OEToolkits 2.0.6CC1(C(SC(=S)N1C)NO)C
OpenEye OEToolkits 2.0.6CC1([C@@H](SC(=S)N1C)NO)C
CACTVS 3.385CN1C(=S)S[CH](NO)C1(C)C
Name:(5~{R})-3,4,4-trimethyl-5-(oxidanylamino)-1,3-thiazolidine-2-thione
ZINC: ZINC000000333336
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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