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BioLiP

PDB CCD ID: 55U
Number of entries in BioLiP: 1
Chemical formula: C19 H23 N5
InChI: InChI=1S/C19H23N5/c1-24(2)15-8-6-14(7-9-15)17-13-18-16(5-3-11-21-18)19(23-17)22-12-4-10-20/h3,5-9,11,13H,4,10,12,20H2,1-2H3,(H,22,23)
InChIKey: RIWJHDIYQSQOAT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CN(C)c1ccc(cc1)c2cc3c(cccn3)c(n2)NCCCN
CACTVS 3.385CN(C)c1ccc(cc1)c2cc3ncccc3c(NCCCN)n2
ACDLabs 12.01c3(c1ccc(N(C)C)cc1)cc2c(cccn2)c(n3)NCCCN
Name:N-{7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl}propane-1,3-diamine
ChEMBL: CHEMBL30678
ZINC: ZINC000003816697
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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