BioLiP

PDB

BioLiP

PDB CCD ID:

TN6

Number of entries in BioLiP:

Chemical formula:

C4 H12 N O3 P

InChI:

InChI=1S/C4H12NO3P/c1-3-5(4-2)9(6,7)8/h3-4H2,1-2H3,(H2,6,7,8)

InChIKey:

NBAUUSKPFGFBQZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=P(O)(O)N(CC)CC
OpenEye OEToolkits 1.6.1	CCN(CC)P(=O)(O)O
CACTVS 3.352	CCN(CC)[P](O)(O)=O

Name:

diethylphosphoramidic acid

ZINC:

ZINC000058633663

Reference:

Chengxin Zhang, Xi Zhang, Lydia 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).