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BioLiP

PDB CCD ID: NQ6
Number of entries in BioLiP: 2
Chemical formula: C9 H11 N3 O3
InChI: InChI=1S/C9H11N3O3/c10-6(9(14)15)5-8(13)12-7-3-1-2-4-11-7/h1-4,6H,5,10H2,(H,14,15)(H,11,12,13)/t6-/m0/s1
InChIKey: HEYRGJOINQMKAJ-LURJTMIESA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[CH](CC(=O)Nc1ccccn1)C(O)=O
OpenEye OEToolkits 2.0.7c1ccnc(c1)NC(=O)CC(C(=O)O)N
OpenEye OEToolkits 2.0.7c1ccnc(c1)NC(=O)C[C@@H](C(=O)O)N
ACDLabs 12.01O=C(Nc1ccccn1)CC(N)C(=O)O
CACTVS 3.385N[C@@H](CC(=O)Nc1ccccn1)C(O)=O
Name:N-(pyridin-2-yl)-L-asparagine
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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