SEQ2FUN

BioLiP

PDB CCD ID: JFQ
Number of entries in BioLiP: 9
Chemical formula: C9 H21 N3
InChI: InChI=1S/C9H21N3/c10-6-1-7-12-9-4-2-8(11)3-5-9/h8-9,12H,1-7,10-11H2/t8-,9-
InChIKey: QIMPCSMJRMPRJC-KYZUINATSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1CC(CCC1N)NCCCN
CACTVS 3.370NCCCN[C@@H]1CC[C@@H](N)CC1
CACTVS 3.370NCCCN[CH]1CC[CH](N)CC1
ACDLabs 12.01N(CCCN)C1CCC(N)CC1
Name:trans-N-(3-aminopropyl)cyclohexane-1,4-diamine
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).