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BioLiP

PDB CCD ID: Q9G
Number of entries in BioLiP: 1
Chemical formula: C17 H17 F N4
InChI: InChI=1S/C17H17FN4/c1-9-6-7-10(18)8-13(9)15-12-5-3-2-4-11(12)14-16(19)21-22-17(14)20-15/h6-8H,2-5H2,1H3,(H3,19,20,21,22)
InChIKey: YPULTKAHHAYKOE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1Cc1ccc(cc1c2c3c(c4c(n[nH]c4n2)N)CCCC3)F
CACTVS 3.352Cc1ccc(F)cc1c2nc3[nH]nc(N)c3c4CCCCc24
Name:5-(5-FLUORO-2-METHYLPHENYL)-6,7,8,9-TETRAHYDRO-3H-PYRAZOLO[3,4-C]ISOQUINOLIN-1-AMINE
ChEMBL: CHEMBL1927262
ZINC: ZINC000082153657
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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