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BioLiP

PDB CCD ID: DSG
Number of entries in BioLiP: 13
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:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@H](C(=O)O)N)C(=O)N
ACDLabs 10.04O=C(N)CC(N)C(=O)O
CACTVS 3.341N[C@H](CC(N)=O)C(O)=O
CACTVS 3.341N[CH](CC(N)=O)C(O)=O
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)C(=O)N
Name:D-ASPARAGINE
ChEMBL: CHEMBL1232369
DrugBank: DB03943
ZINC: ZINC000001529313
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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