SEQ2FUN

BioLiP

PDB CCD ID: DIB
Number of entries in BioLiP: 0
Chemical formula: C5 H14 N2
InChI: InChI=1S/C5H14N2/c1-7(2)5-3-4-6/h3-6H2,1-2H3
InChIKey: IUNMPGNGSSIWFP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CN(C)CCCN
ACDLabs 10.04NCCCN(C)C
Name:3-AMINO-(DIMETHYLPROPYLAMINE)
ChEMBL: CHEMBL1232234
ZINC: ZINC000001587811
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).