SEQ2FUN

BioLiP

PDB CCD ID: GEE
Number of entries in BioLiP: 6
Chemical formula: C4 H9 N O2
InChI: InChI=1S/C4H9NO2/c1-2-7-4(6)3-5/h2-3,5H2,1H3
InChIKey: NTNZTEQNFHNYBC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(OCC)CN
CACTVS 3.370
OpenEye OEToolkits 1.7.0		CCOC(=O)CN
Name:ethyl glycinate
ChEMBL: CHEMBL2448938
ZINC: ZINC000034800260
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).