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BioLiP

PDB CCD ID: 2JC
Number of entries in BioLiP: 0
Chemical formula: C4 H9 N O2
InChI: InChI=1S/C4H9NO2/c1-2-5-3-4(6)7/h5H,2-3H2,1H3,(H,6,7)
InChIKey: YPIGGYHFMKJNKV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)CNCC
CACTVS 3.385CCNCC(O)=O
OpenEye OEToolkits 1.7.6CCNCC(=O)O
Name:N-ethylglycine
ChEMBL: CHEMBL4228385
ZINC: ZINC000001532340
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)(download the PDF file).
  • 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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