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BioLiP

PDB CCD ID: CH4
Number of entries in BioLiP: 0
Chemical formula: C8 H20 N4 O
InChI: InChI=1S/C8H20N4O/c9-1-3-11-5-8(7-13)6-12-4-2-10/h7-8,11-12H,1-6,9-10H2
InChIKey: BIJUMIIQWOKWMO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NCCNCC(CNCCN)C=O
OpenEye OEToolkits 1.5.0C(CNCC(CNCCN)C=O)N
ACDLabs 10.04O=CC(CNCCN)CNCCN
Name:3-[(2-AMINOETHYL)AMINO]-2-{[(2-AMINOETHYL)AMINO]METHYL}PROPANAL
ZINC: ZINC000033821251
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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