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BioLiP

PDB CCD ID: 7XM
Number of entries in BioLiP: 1
Chemical formula: C9 H9 N3
InChI: InChI=1S/C9H9N3/c10-7-1-2-8-6(5-7)3-4-12-9(8)11/h1-5H,10H2,(H2,11,12)
InChIKey: FTEJISMJEPMEAC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1ccc2c(ccnc2N)c1
OpenEye OEToolkits 2.0.6c1cc2c(ccnc2N)cc1N
Name:isoquinoline-1,6-diamine
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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