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BioLiP

PDB CCD ID: EFC
Number of entries in BioLiP: 0
Chemical formula: C5 H10 F N O2 S2
InChI: InChI=1S/C5H10FNO2S2/c6-1-2-10-11-3-4(7)5(8)9/h4H,1-3,7H2,(H,8,9)/t4-/m0/s1
InChIKey: KQUQTCUPTPNNHF-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CSSCC(C(=O)O)N)F
OpenEye OEToolkits 1.5.0C(CSSC[C@@H](C(=O)O)N)F
CACTVS 3.341N[CH](CSSCCF)C(O)=O
CACTVS 3.341N[C@@H](CSSCCF)C(O)=O
ACDLabs 10.04FCCSSCC(C(=O)O)N
Name:S,S-(2-FLUOROETHYL)THIOCYSTEINE
ZINC: ZINC000006360464
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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