SEQ2FUN

BioLiP

PDB CCD ID: ETN
Number of entries in BioLiP: 3
Chemical formula: C3 H9 N
InChI: InChI=1S/C3H9N/c1-3-4-2/h4H,3H2,1-2H3
InChIKey: LIWAQLJGPBVORC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04N(CC)C
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCNC
Name:METHYLETHYLAMINE
ChEMBL: CHEMBL1232589
DrugBank: DB02396
ZINC: ZINC000002031662
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).