BioLiP

PDB

BioLiP

PDB CCD ID:

EZY

Number of entries in BioLiP:

Chemical formula:

C9 H10 N2 O4

InChI:

InChI=1S/C9H10N2O4/c12-9(13)6-10-5-7-3-1-2-4-8(7)11(14)15/h1-4,10H,5-6H2,(H,12,13)

InChIKey:

PRJCIUDMDQNJCJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc(c(c1)CNCC(=O)O)N(=O)=O
CACTVS 3.385	OC(=O)CNCc1ccccc1[N](=O)=O
ACDLabs 12.01	N(CC(=O)O)Cc1c(N(=O)=O)cccc1

Name:

N-[(2-nitrophenyl)methyl]glycine;
2-nitrobenzylglycine

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).