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BioLiP

PDB CCD ID: ETA
Number of entries in BioLiP: 21
Chemical formula: C2 H7 N O
InChI: InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2
InChIKey: HZAXFHJVJLSVMW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370NCCO
ACDLabs 12.01OCCN
OpenEye OEToolkits 1.7.0C(CO)N
Name:ETHANOLAMINE
ChEMBL: CHEMBL104943
DrugBank: DB03994
ZINC: ZINC000008214617
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).
  • 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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