BioLiP

PDB

BioLiP

PDB CCD ID:

MLP

Number of entries in BioLiP:

Chemical formula:

C3 H7 N O3 P

InChI:

InChI=1S/C3H8NO3P/c4-3(1-2-3)8(5,6)7/h1-2,4H2,(H2,5,6,7)/p-1

InChIKey:

WKCJTSHOKDLADL-UHFFFAOYSA-M

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1CC1(N)P(=O)(O)[O-]
CACTVS 3.341	NC1(CC1)[P](O)([O-])=O
OpenEye OEToolkits 1.5.0	C1CC1(N)[P@](=O)(O)[O-]
ACDLabs 10.04	[O-]P(=O)(O)C1(N)CC1

Name:

1-AMINOCYCLOPROPYLPHOSPHONATE

DrugBank:

DB03053

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).