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BioLiP

PDB CCD ID: QGN
Number of entries in BioLiP: 1
Chemical formula: C7 H9 N5
InChI: InChI=1S/C7H9N5/c1-3-4(2)9-11-7-5(3)6(8)10-12-7/h1-2H3,(H3,8,10,11,12)
InChIKey: RVIXOTSPJLNAEI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1nnc2[nH]nc(N)c2c1C
OpenEye OEToolkits 2.0.7Cc1c(nnc2c1c(n[nH]2)N)C
Name:4,5-dimethyl-1~{H}-pyrazolo[3,4-c]pyridazin-3-amine
ChEMBL: CHEMBL197512
ZINC: ZINC000013674785
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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