BioLiP

PDB

BioLiP

PDB CCD ID:

DSG

Number of entries in BioLiP:

Chemical formula:

C4 H8 N2 O3

InChI:

InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m1/s1

InChIKey:

DCXYFEDJOCDNAF-UWTATZPHSA-N

SMILES:

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

Name:

D-ASPARAGINE

ChEMBL:

CHEMBL1232369

DrugBank:

DB03943

ZINC:

ZINC000001529313

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).