SEQ2FUN

BioLiP

PDB CCD ID: 297
Number of entries in BioLiP: 2
Chemical formula: C12 H28 N2
InChI: InChI=1S/C12H28N2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-14H2
InChIKey: QFTYSVGGYOXFRQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		NCCCCCCCCCCCCN
OpenEye OEToolkits 1.5.0C(CCCCCCN)CCCCCN
Name:dodecane-1,12-diamine
ChEMBL: CHEMBL69590
ZINC: ZINC000001685531
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).