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BioLiP

PDB CCD ID: KL0
Number of entries in BioLiP: 9
Chemical formula: C11 H19 N3
InChI: InChI=1S/C11H19N3/c1-9-7-10(13-11(12)8-9)5-4-6-14(2)3/h7-8H,4-6H2,1-3H3,(H2,12,13)
InChIKey: UOGCIQPLIAZGRO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cc(nc(c1)N)CCCN(C)C
ACDLabs 12.01Cc1cc(CCCN(C)C)nc(N)c1
CACTVS 3.385CN(C)CCCc1cc(C)cc(N)n1
Name:6-[3-(dimethylamino)propyl]-4-methylpyridin-2-amine
ChEMBL: CHEMBL5189279
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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