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BioLiP Library

PDB CCD ID: W96
Number of entries in BioLiP: 1
Chemical formula: C14 H11 N3
InChI: InChI=1S/C14H11N3/c1-2-4-13-11(3-1)9-16-10-14(13)17-12-5-7-15-8-6-12/h1-10H,(H,15,17)
InChIKey: FLAHEXULHVZYHT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)cncc2Nc3ccncc3
CACTVS 3.385N(c1ccncc1)c2cncc3ccccc23
Name:N-pyridin-4-ylisoquinolin-4-amine
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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