BioLiP

PDB

BioLiP

PDB CCD ID:

APO

Number of entries in BioLiP:

Chemical formula:

C3 H8 N O5 P

InChI:

InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1

InChIKey:

LBTABPSJONFLPO-UWTATZPHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C(C(C(=O)O)N)P(=O)(O)O
ACDLabs 10.04	O=C(O)C(N)CP(=O)(O)O
CACTVS 3.341	N[C@H](C[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0	C([C@H](C(=O)O)N)P(=O)(O)O
CACTVS 3.341	N[CH](C[P](O)(O)=O)C(O)=O

Name:

D-2-AMINO-3-PHOSPHONO-PROPIONIC ACID

ChEMBL:

CHEMBL1231023

DrugBank:

DB03292

ZINC:

ZINC000003873029

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).