BioLiP

PDB

BioLiP

PDB CCD ID:

NQ6

Number of entries in BioLiP:

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:

Software	SMILES
CACTVS 3.385	N[CH](CC(=O)Nc1ccccn1)C(O)=O
OpenEye OEToolkits 2.0.7	c1ccnc(c1)NC(=O)CC(C(=O)O)N
OpenEye OEToolkits 2.0.7	c1ccnc(c1)NC(=O)C[C@@H](C(=O)O)N
ACDLabs 12.01	O=C(Nc1ccccn1)CC(N)C(=O)O
CACTVS 3.385	N[C@@H](CC(=O)Nc1ccccn1)C(O)=O

Name:

N-(pyridin-2-yl)-L-asparagine

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).