SEQ2FUN

BioLiP

PDB CCD ID: A1A3Y
Number of entries in BioLiP: 4
Chemical formula: C8 H18 N2
InChI: InChI=1S/C8H18N2/c1-8(2)4-3-6-10(8)7-5-9/h3-7,9H2,1-2H3
InChIKey: ZSHAGSDVWLLMSY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0CC1(CCCN1CCN)C
ACDLabs 14.52
CACTVS 3.385		CC1(C)CCCN1CCN
Name:2-(2,2-dimethylpyrrolidin-1-yl)ethan-1-amine
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).