BioLiP

PDB

BioLiP

PDB CCD ID:

M44

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 1.7.0	CC(C)NP(=O)(NC(C)C)O
CACTVS 3.352	CC(C)N[P](O)(=O)NC(C)C

Name:

N,N'-bis(1-methylethyl)phosphorodiamidic acid

ZINC:

ZINC000058639146

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).