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BioLiP

PDB CCD ID: 0AJ
Number of entries in BioLiP: 0
Chemical formula: C5 H12 S2
InChI: InChI=1S/C5H12S2/c1-4-7-5(2)6-3/h5H,4H2,1-3H3/t5-/m1/s1
InChIKey: RLVVEDPRNSYGPR-RXMQYKEDSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCS[C@H](C)SC
ACDLabs 10.04S(C)C(SCC)C
CACTVS 3.341CCS[CH](C)SC
OpenEye OEToolkits 1.5.0CCSC(C)SC
Name:(1R)-1-(ethylsulfanyl)-1-(methylsulfanyl)ethane
ZINC: ZINC000032163169
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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