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BioLiP

PDB CCD ID: NTJ
Number of entries in BioLiP: 10
Chemical formula: C4 H12 N O2 P
InChI: InChI=1S/C4H12NO2P/c1-4-7-8(6)5(2)3/h8H,4H2,1-3H3
InChIKey: VJBIKDDUGQICEU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCOP(=O)N(C)C
ACDLabs 10.04O=P(OCC)N(C)C
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCO[P@H](=O)N(C)C
CACTVS 3.341CCO[PH](=O)N(C)C
Name:R-ETHYL N,N-DIMETHYLPHOSPHONAMIDATE
ZINC: ZINC000038424911
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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