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BioLiP

PDB CCD ID: OBF
Number of entries in BioLiP: 0
Chemical formula: C4 H7 F2 N O2
InChI: InChI=1S/C4H7F2NO2/c5-3(6)1-2(7)4(8)9/h2-3H,1,7H2,(H,8,9)/t2-/m0/s1
InChIKey: VIUCNIMDPZQXAD-REOHCLBHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)C(F)F
ACDLabs 10.04FC(F)CC(N)C(=O)O
CACTVS 3.341N[C@@H](CC(F)F)C(O)=O
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)C(F)F
CACTVS 3.341N[CH](CC(F)F)C(O)=O
Name:(2S)-2-amino-4,4-difluorobutanoic acid
ZINC: ZINC000037756049
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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