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BioLiP Library

PDB CCD ID: AS3
Number of entries in BioLiP: 2
Chemical formula: C9 H14 N2
InChI: InChI=1S/C9H14N2/c1-3-4-8-5-7(2)6-9(10)11-8/h5-6H,3-4H2,1-2H3,(H2,10,11)
InChIKey: QGCCHDIBMYPTPX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCc1cc(cc(n1)N)C
ACDLabs 10.04n1c(cc(cc1N)C)CCC
CACTVS 3.341CCCc1cc(C)cc(N)n1
Name:4-METHYL-6-PROPYLPYRIDIN-2-AMINE
ChEMBL: CHEMBL302657
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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