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BioLiP

PDB CCD ID: L2Y
Number of entries in BioLiP: 4
Chemical formula: C7 H16 F N2 O P
InChI: InChI=1S/C7H16FN2OP/c1-5-10(6-2)7(3)9-12(4,8)11/h5-6H2,1-4H3/b9-7+/t12-/m0/s1
InChIKey: OUJDIWHRYQBZSR-CRALRDPISA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01CCN(CC)C(\C)=N\P(C)(=O)F
OpenEye OEToolkits 2.0.7CCN(CC)/C(=N/[P@](=O)(C)F)/C
CACTVS 3.385CCN(CC)C(C)=N[P](C)(F)=O
CACTVS 3.385CCN(CC)C(C)=N[P@](C)(F)=O
OpenEye OEToolkits 2.0.7CCN(CC)C(=NP(=O)(C)F)C
Name:(S)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidic fluoride;
A-230 (Nerve agent)
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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