PDB CCD ID: | UKA | ||||||||||||
Number of entries in BioLiP: | 5 | ||||||||||||
Chemical formula: | C40 H47 N11 O6 | ||||||||||||
InChI: | InChI=1S/C40H47N11O6/c1-2-41-37(54)33-31(52)32(53)39(57-33)51-24-46-30-34(45-23-28(25-11-5-3-6-12-25)26-13-7-4-8-14-26)48-35(49-36(30)51)38(55)43-19-20-44-40(56)47-27-16-21-50(22-17-27)29-15-9-10-18-42-29/h3-15,18,24,27-28,31-33,39,52-53H,2,16-17,19-23H2,1H3,(H,41,54)(H,43,55)(H2,44,47,56)(H,45,48,49)/t31-,32+,33-,39+/m0/s1 | ||||||||||||
InChIKey: | ZOTHAEBAWXWVID-HXEFRTELSA-N | ||||||||||||
SMILES: |
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Name: | 6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide | ||||||||||||
ChEMBL: | CHEMBL1096896 | ||||||||||||
DrugBank: | DB12691 | ||||||||||||
ZINC: | ZINC000095539256 |