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BioLiP Library

PDB CCD ID: DFI
Number of entries in BioLiP: 0
Chemical formula: C8 H15 F2 N O3
InChI: InChI=1S/C8H15F2NO3/c1-4(2)3-5(11)6(12)8(9,10)7(13)14/h4-6,12H,3,11H2,1-2H3,(H,13,14)/t5-,6+/m0/s1
InChIKey: SUJALIOOVGLZNM-NTSWFWBYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC(C)C[CH](N)[CH](O)C(F)(F)C(O)=O
CACTVS 3.341CC(C)C[C@H](N)[C@@H](O)C(F)(F)C(O)=O
ACDLabs 10.04FC(F)(C(=O)O)C(O)C(N)CC(C)C
OpenEye OEToolkits 1.5.0CC(C)CC(C(C(C(=O)O)(F)F)O)N
OpenEye OEToolkits 1.5.0CC(C)C[C@@H]([C@H](C(C(=O)O)(F)F)O)N
Name:2,2-DIFLUOROSTATINE
ZINC: ZINC000006762384
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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