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BioLiP

PDB CCD ID: 5IQ
Number of entries in BioLiP: 5
Chemical formula: C9 H8 N2
InChI: InChI=1S/C9H8N2/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-6H,10H2
InChIKey: DTVYNUOOZIKEEX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc2cnccc2c(c1)N
CACTVS 3.341Nc1cccc2cnccc12
ACDLabs 10.04n2ccc1c(cccc1N)c2
Name:ISOQUINOLIN-5-AMINE;
5-AMINOISOQUINOLINE
ChEMBL: CHEMBL216973
DrugBank: DB04605
ZINC: ZINC000000154819
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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