SEQ2FUN

BioLiP

PDB CCD ID: XAZ
Number of entries in BioLiP: 1
Chemical formula: C8 H10 N4
InChI: InChI=1S/C8H10N4/c1-5-3-6(2)12-8(10-5)4-7(9)11-12/h3-4H,1-2H3,(H2,9,11)
InChIKey: JTTOBYJUZIFSFJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Cc1cc(C)n2nc(N)cc2n1
OpenEye OEToolkits 1.7.2Cc1cc(n2c(n1)cc(n2)N)C
ACDLabs 12.01n1c(cc(n2nc(cc12)N)C)C
Name:5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
ChEMBL: CHEMBL1916048
ZINC: ZINC000019089919
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).