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BioLiP Library

PDB CCD ID: DFO
Number of entries in BioLiP: 0
Chemical formula: C8 H15 F2 N O4
InChI: InChI=1S/C8H15F2NO4/c1-4(2)3-5(11)8(14,15)7(9,10)6(12)13/h4-5,14-15H,3,11H2,1-2H3,(H,12,13)/t5-/m0/s1
InChIKey: LSQJZHZWLIILRU-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC(C)C[C@H](N)C(O)(O)C(F)(F)C(O)=O
OpenEye OEToolkits 1.5.0CC(C)C[C@@H](C(C(C(=O)O)(F)F)(O)O)N
OpenEye OEToolkits 1.5.0CC(C)CC(C(C(C(=O)O)(F)F)(O)O)N
CACTVS 3.341CC(C)C[CH](N)C(O)(O)C(F)(F)C(O)=O
ACDLabs 10.04FC(F)(C(=O)O)C(O)(O)C(N)CC(C)C
Name:2,2-DIFLUORO-3-HYDROSTATINE
ZINC: ZINC000006762378
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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