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BioLiP

PDB CCD ID: ZLF
Number of entries in BioLiP: 0
Chemical formula: C11 H14 F N O2 S
InChI: InChI=1S/C11H14FNO2S/c1-7-2-8(4-9(12)3-7)5-16-6-10(13)11(14)15/h2-4,10H,5-6,13H2,1H3,(H,14,15)/t10-/m0/s1
InChIKey: USVLRZDFSGVOCB-JTQLQIEISA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cc(cc(c1)F)CSCC(C(=O)O)N
CACTVS 3.385Cc1cc(F)cc(CSC[CH](N)C(O)=O)c1
CACTVS 3.385Cc1cc(F)cc(CSC[C@H](N)C(O)=O)c1
Name:S-(1-FLUORO-3,5-DIMETHYLBENZENE)-CYSTEINE;
2-azanyl-3-[(3-fluoranyl-5-methyl-phenyl)methylsulfanyl]propanoic acid
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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