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BioLiP

PDB CCD ID: N3D
Number of entries in BioLiP: 0
Chemical formula: C4 H12 N2
InChI: InChI=1S/C4H12N2/c1-6-4-2-3-5/h6H,2-5H2,1H3
InChIKey: QHJABUZHRJTCAR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04NCCCNC
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CNCCCN
Name:N-methylpropane-1,3-diamine
ChEMBL: CHEMBL174165
ZINC: ZINC000001586437
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).
  • 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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