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BioLiP

PDB CCD ID: SCX
Number of entries in BioLiP: 1
Chemical formula: C19 H17 F2 N7
InChI: InChI=1S/C19H17F2N7/c1-2-12-10-26-28-16(23-7-11-8-24-19(22)25-9-11)6-15(27-18(12)28)17-13(20)4-3-5-14(17)21/h3-6,8-10,23H,2,7H2,1H3,(H2,22,24,25)
InChIKey: HQPVGVSQPQVZLD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Fc4cccc(F)c4c1nc3c(cnn3c(c1)NCc2cnc(nc2)N)CC
CACTVS 3.341CCc1cnn2c(NCc3cnc(N)nc3)cc(nc12)c4c(F)cccc4F
OpenEye OEToolkits 1.5.0CCc1cnn2c1nc(cc2NCc3cnc(nc3)N)c4c(cccc4F)F
Name:N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine
DrugBank: DB08538
ZINC: ZINC000033295984
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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