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BioLiP

PDB CCD ID: MLP
Number of entries in BioLiP: 4
Chemical formula: C3 H7 N O3 P
InChI: InChI=1S/C3H8NO3P/c4-3(1-2-3)8(5,6)7/h1-2,4H2,(H2,5,6,7)/p-1
InChIKey: WKCJTSHOKDLADL-UHFFFAOYSA-M
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1CC1(N)P(=O)(O)[O-]
CACTVS 3.341NC1(CC1)[P](O)([O-])=O
OpenEye OEToolkits 1.5.0C1CC1(N)[P@](=O)(O)[O-]
ACDLabs 10.04[O-]P(=O)(O)C1(N)CC1
Name:1-AMINOCYCLOPROPYLPHOSPHONATE
DrugBank: DB03053
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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