SEQ2FUN

BioLiP

PDB CCD ID: EMR
Number of entries in BioLiP: 6
Chemical formula: C6 H14 N2 O
InChI: InChI=1S/C6H14N2O/c7-1-2-8-3-5-9-6-4-8/h1-7H2
InChIKey: RWIVICVCHVMHMU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O1CCN(CCN)CC1
CACTVS 3.341NCCN1CCOCC1
OpenEye OEToolkits 1.5.0C1COCCN1CCN
Name:N-AMINOETHYLMORPHOLINE
ChEMBL: CHEMBL214205
DrugBank: DB03096
ZINC: ZINC000019230134
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).