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BioLiP

PDB CCD ID: FL4
Number of entries in BioLiP: 1
Chemical formula: C18 H12 F2 N4 O
InChI: InChI=1S/C18H12F2N4O/c1-10-4-2-3-5-12(10)16-13-9-21-18(22-17(13)24-23-16)25-15-7-6-11(19)8-14(15)20/h2-9H,1H3,(H,21,22,23,24)
InChIKey: MWRHZZFHXSJLGY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Fc4ccc(Oc1ncc2c(n1)nnc2c3ccccc3C)c(F)c4
OpenEye OEToolkits 1.5.0Cc1ccccc1c2c3cnc(nc3[nH]n2)Oc4ccc(cc4F)F
CACTVS 3.341Cc1ccccc1c2n[nH]c3nc(Oc4ccc(F)cc4F)ncc23
Name:6-(2,4-difluorophenoxy)-3-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine
ZINC: ZINC000058633489
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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