Searching for structures with analogs of Deuruxolitinib.
Search results (47 entries covering 22 PDB structures)
| # | Kinase | Family | Group | PDB | Chain | (Alternate) Model | Orthosteric ligand | Organism | Details | Similarity (MFP) | File |
|---|---|---|---|---|---|---|---|---|---|---|---|
| JAK2 | JakA | TK | 6vgl | B | (3r)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile | Human | 13222 | 0.82 | |||
| JAK2 | JakA | TK | 6wtn | A | A | (3r)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile | Human | 13538 | 0.82 | ||
| JAK2 | JakA | TK | 8bxc | A | B | itacitinib | Human | 15041 | 0.40 | ||
| JAK2 | JakA | TK | 9t1z | A | A | (3r)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile | Human | 15578 | 0.82 | ||
| JAK2 | JakA | TK | 9t1u | A | B | (3r)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile | Human | 15577 | 0.82 | ||
| JAK2 | JakA | TK | 9t1u | A | A | (3r)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile | Human | 15576 | 0.82 | ||
| JAK1 | JakA | TK | 6sm8 | A | B | 2-chloranyl-6-[(3~{s})-3-[(1~{s})-2-cyano-1-[4-(7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]pyrrolidin-1-yl]benzenecarbonitrile | Human | 12250 | 0.65 | ||
| JAK1 | JakA | TK | 6sm8 | B | A | 2-chloranyl-6-[(3~{s})-3-[(1~{s})-2-cyano-1-[4-(7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]pyrrolidin-1-yl]benzenecarbonitrile | Human | 12245 | 0.65 | ||
| JAK2 | JakA | TK | 8g6z | A | A | (3r)-3-cyclopentyl-3-[(4m)-4-{5-methyl-2-[(1-methyl-1h-pyrazol-4-yl)amino]pyrimidin-4-yl}-1h-pyrazol-1-yl]propanenitrile | Human | 14808 | 0.41 | ||
| JAK3 | JakA | TK | 3lxk | A | 3-{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile | Human | 436 | 0.40 | |||
| JAK2 | JakA | TK | 8g6z | A | B | (3r)-3-cyclopentyl-3-[(4m)-4-{5-methyl-2-[(1-methyl-1h-pyrazol-4-yl)amino]pyrimidin-4-yl}-1h-pyrazol-1-yl]propanenitrile | Human | 14810 | 0.41 | ||
| DCLK1 | DCAMKL | CAMK | 7f3g | A | (3r)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile | Human | 13853 | 0.82 | |||
| JAK2 | JakA | TK | 6vgl | D | (3r)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile | Human | 13220 | 0.82 | |||
| JAK2 | JakA | TK | 9t20 | A | A | (3r)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile | Human | 15570 | 0.82 | ||
| JAK2 | JakA | TK | 6vn8 | A | baricitinib | Human | 13291 | 0.50 | |||
| JAK2 | JakA | TK | 6wto | A | A | baricitinib | Human | 13536 | 0.50 | ||
| JAK2 | JakA | TK | 9t20 | A | B | (3r)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile | Human | 15572 | 0.82 | ||
| JAK2 | JakA | TK | 6vs3 | B | (3r)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile | Human | 13345 | 0.50 | |||
| JAK2 | JakA | TK | 3fup | B | 3-{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile | Human | 3654 | 0.40 | |||
| JAK2 | JakA | TK | 9t1z | A | B | (3r)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile | Human | 15573 | 0.82 | ||
| JAK2 | JakA | TK | 8bxc | A | A | itacitinib | Human | 15037 | 0.40 | ||
| JAK2 | JakA | TK | 6vnk | A | (3r)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile | Human | 13293 | 0.82 | |||
| JAK2 | JakA | TK | 6vnk | B | (3r)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile | Human | 13295 | 0.82 | |||
| JAK2 | JakA | TK | 6wto | A | B | baricitinib | Human | 13539 | 0.50 | ||
| JAK2 | JakA | TK | 6vnc | B | (3r)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile | Human | 13348 | 0.50 | |||
| JAK2 | JakA | TK | 6vs3 | A | (3r)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile | Human | 13349 | 0.50 | |||
| JAK2 | JakA | TK | 6wtn | A | B | (3r)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile | Human | 13540 | 0.82 | ||
| JAK2 | JakA | TK | 6vsn | A | (3s)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile | Human | 13353 | 0.82 | |||
| JAK2 | JakA | TK | 6vn8 | B | baricitinib | Human | 13301 | 0.50 | |||
| JAK2 | JakA | TK | 6vsn | B | (3s)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile | Human | 13356 | 0.82 | |||
| JAK2 | JakA | TK | 6vnb | A | (3s)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile | Human | 13298 | 0.50 | |||
| JAK2 | JakA | TK | 6vsn | D | (3s)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile | Human | 13343 | 0.82 | |||
| PKN1 | PKN | AGC | 4oti | A | A | 3-{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile | Human | 551 | 0.40 | ||
| PKN1 | PKN | AGC | 4oti | A | B | 3-{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile | Human | 547 | 0.40 | ||
| BMP2K (BIKE) | NAK | Other | 4w9x | A | baricitinib | Human | 3273 | 0.50 | |||
| JAK1 | JakA | TK | 3eyg | A | A | 3-{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile | Human | 1445 | 0.40 | ||
| JAK2 | JakA | TK | 6vgl | C | (3r)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile | Human | 13221 | 0.82 | |||
| JAK2 | JakA | TK | 6vnk | D | (3r)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile | Human | 13292 | 0.82 | |||
| JAK2 | JakA | TK | 6vgl | A | (3r)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile | Human | 13223 | 0.82 | |||
| JAK2 | JakA | TK | 6vsn | C | (3s)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile | Human | 13350 | 0.82 | |||
| JAK2 | JakA | TK | 3fup | A | 3-{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile | Human | 3721 | 0.40 | |||
| JAK2 | JakA | TK | 6vnk | C | (3r)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile | Human | 13304 | 0.82 | |||
| JAK2 | JakA | TK | 6vnc | A | (3r)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile | Human | 13359 | 0.50 | |||
| TYK2 | JakA | TK | 3lxn | A | 3-{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile | Human | 3337 | 0.40 | |||
| JAK1 | JakA | TK | 3eyg | A | B | 3-{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile | Human | 1453 | 0.40 | ||
| JAK1 | JakA | TK | 6sm8 | A | A | 2-chloranyl-6-[(3~{s})-3-[(1~{s})-2-cyano-1-[4-(7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]pyrrolidin-1-yl]benzenecarbonitrile | Human | 12248 | 0.65 | ||
| JAK1 | JakA | TK | 6sm8 | B | B | 2-chloranyl-6-[(3~{s})-3-[(1~{s})-2-cyano-1-[4-(7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]pyrrolidin-1-yl]benzenecarbonitrile | Human | 12249 | 0.65 |
Deuruxolitinib
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