BioLiP

PDB

BioLiP

PDB CCD ID:

J9X

Number of entries in BioLiP:

Chemical formula:

C4 H7 N O3

InChI:

InChI=1S/C4H7NO3/c1-2-5-3(6)4(7)8/h2H2,1H3,(H,5,6)(H,7,8)

InChIKey:

DXRIITVFSTUKPW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCNC(=O)C(=O)O
CACTVS 3.385	CCNC(=O)C(O)=O

Name:

2-(ethylamino)-2-oxidanylidene-ethanoic acid

ZINC:

ZINC000020204737

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).