Searching for structures with analogs of Duvelisib.
Search results (17 entries covering 9 PDB structures)
| # | Kinase | Family | Group | PDB | Chain | (Alternate) Model | Orthosteric ligand | Organism | Details | Similarity (MFP) | File |
|---|---|---|---|---|---|---|---|---|---|---|---|
| TNNI3K (HH498) | MLK | TKL | 4yfi | D | A | n-methyl-3-(9h-purin-6-ylamino)benzenesulfonamide | Human | 6072 | 0.41 | ||
| TNNI3K (HH498) | MLK | TKL | 4yfi | C | A | n-methyl-3-(9h-purin-6-ylamino)benzenesulfonamide | Human | 6070 | 0.41 | ||
| TNNI3K (HH498) | MLK | TKL | 4yfi | C | B | n-methyl-3-(9h-purin-6-ylamino)benzenesulfonamide | Human | 6073 | 0.41 | ||
| TNNI3K (HH498) | MLK | TKL | 4yfi | A | A | n-methyl-3-(9h-purin-6-ylamino)benzenesulfonamide | Human | 6059 | 0.41 | ||
| TNNI3K (HH498) | MLK | TKL | 4yfi | A | B | n-methyl-3-(9h-purin-6-ylamino)benzenesulfonamide | Human | 6071 | 0.41 | ||
| TNNI3K (HH498) | MLK | TKL | 4yfi | D | B | n-methyl-3-(9h-purin-6-ylamino)benzenesulfonamide | Human | 6064 | 0.41 | ||
| TNNI3K (HH498) | MLK | TKL | 4yfi | B | B | n-methyl-3-(9h-purin-6-ylamino)benzenesulfonamide | Human | 6060 | 0.41 | ||
| Pik3cd (p110d) | PIK | Atypical | 2wxf | A | A | 2-((9h-purin-6-ylthio)methyl)-5-chloro-3-(2-methoxyphenyl)quinazolin-4(3h)-one | Mouse | 9355 | 0.44 | ||
| PIK3CG (p110g) | PIK | Atypical | 2chw | A | 2-((9h-purin-6-ylthio)methyl)-5-chloro-3-(2-methoxyphenyl)quinazolin-4(3h)-one | Human | 9182 | 0.44 | |||
| PIK3CG (p110g) | PIK | Atypical | 4wwp | A | n-{(1s)-1-[8-chloro-2-(2-methylpyridin-3-yl)quinolin-3-yl]ethyl}-9h-purin-6-amine | Human | 9200 | 0.50 | |||
| TNNI3K (HH498) | MLK | TKL | 4yfi | B | A | n-methyl-3-(9h-purin-6-ylamino)benzenesulfonamide | Human | 6061 | 0.41 | ||
| PIK3CG (p110g) | PIK | Atypical | 4wwo | A | n-{(1s)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9h-purin-6-amine | Human | 9190 | 0.49 | |||
| PIK3CG (p110g) | PIK | Atypical | 4wwn | A | n-{(1s)-1-[7-fluoro-2-(pyridin-2-yl)quinolin-3-yl]ethyl}-9h-purin-6-amine | Human | 9226 | 0.43 | |||
| Pik3cd (p110d) | PIK | Atypical | 5i6u | A | 2-[(1s)-1-({6-amino-5-[(1h-pyrazol-4-yl)ethynyl]pyrimidin-4-yl}amino)ethyl]-5-chloro-3-phenylquinazolin-4(3h)-one | Mouse | 9370 | 0.46 | |||
| Pik3cd (p110d) | PIK | Atypical | 2wxf | A | B | 2-((9h-purin-6-ylthio)methyl)-5-chloro-3-(2-methoxyphenyl)quinazolin-4(3h)-one | Mouse | 9352 | 0.44 | ||
| Pik3cd (p110d) | PIK | Atypical | 4xe0 | A | 5-fluoro-3-phenyl-2-[(1s)-1-(7h-purin-6-ylamino)propyl]quinazolin-4(3h)-one | Mouse | 9368 | 0.42 | |||
| Pik3cd (p110d) | PIK | Atypical | 5i4u | A | 2,4-diamino-6-{[(1s)-1-(5-chloro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)ethyl]amino}pyrimidine-5-carbonitrile | Mouse | 9391 | 0.42 |
Duvelisib
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