BioLiP

PDB

BioLiP

PDB CCD ID:

NTJ

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 1.5.0	CCOP(=O)N(C)C
ACDLabs 10.04	O=P(OCC)N(C)C
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CCO[P@H](=O)N(C)C
CACTVS 3.341	CCO[PH](=O)N(C)C

Name:

R-ETHYL N,N-DIMETHYLPHOSPHONAMIDATE

ZINC:

ZINC000038424911

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).