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BioLiP

PDB CCD ID: M44
Number of entries in BioLiP: 5
Chemical formula: C6 H17 N2 O2 P
InChI: InChI=1S/C6H17N2O2P/c1-5(2)7-11(9,10)8-6(3)4/h5-6H,1-4H3,(H3,7,8,9,10)
InChIKey: CAMCMEOOLQEXTO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(C)NP(=O)(NC(C)C)O
CACTVS 3.352CC(C)N[P](O)(=O)NC(C)C
Name:N,N'-bis(1-methylethyl)phosphorodiamidic acid
ZINC: ZINC000058639146
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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