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BioLiP

PDB CCD ID: 2FM
Number of entries in BioLiP: 1
Chemical formula: C5 H9 F2 N O2 S
InChI: InChI=1S/C5H9F2NO2S/c6-5(7)11-2-1-3(8)4(9)10/h3,5H,1-2,8H2,(H,9,10)/t3-/m0/s1
InChIKey: YHBNXKYHZMAFED-VKHMYHEASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CSC(F)F)[C@@H](C(=O)O)N
CACTVS 3.341N[C@@H](CCSC(F)F)C(O)=O
CACTVS 3.341N[CH](CCSC(F)F)C(O)=O
OpenEye OEToolkits 1.5.0C(CSC(F)F)C(C(=O)O)N
ACDLabs 10.04FC(F)SCCC(C(=O)O)N
Name:S-(DIFLUOROMETHYL)HOMOCYSTEINE;
DIFLUOROMETHIONINE
DrugBank: DB03816
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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