Searching for structures with analogs of Deuruxolitinib.

Search results (41 entries covering 19 PDB structures)

#KinaseFamilyGroupPDBChain(Alternate) Model Orthosteric ligandOrganismDetailsSimilarity (MFP)File
JAK2JakATK6vglB(3r)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrileHuman132220.82
JAK2JakATK6wtnAA(3r)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrileHuman135380.82
JAK1JakATK6sm8AB2-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]benzenecarbonitrileHuman122500.65
JAK1JakATK6sm8BA2-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]benzenecarbonitrileHuman122450.65
JAK2JakATK8g6zAA(3r)-3-cyclopentyl-3-[(4m)-4-{5-methyl-2-[(1-methyl-1h-pyrazol-4-yl)amino]pyrimidin-4-yl}-1h-pyrazol-1-yl]propanenitrileHuman148080.41
JAK3JakATK3lxkA3-{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrileHuman4360.40
JAK2JakATK8g6zAB(3r)-3-cyclopentyl-3-[(4m)-4-{5-methyl-2-[(1-methyl-1h-pyrazol-4-yl)amino]pyrimidin-4-yl}-1h-pyrazol-1-yl]propanenitrileHuman148100.41
DCLK1DCAMKLCAMK7f3gA(3r)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrileHuman138530.82
JAK2JakATK8bxcAAitacitinibHuman150370.40
JAK2JakATK6vnbA(3s)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrileHuman132980.50
JAK2JakATK6vsnD(3s)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrileHuman133430.82
PKN1PKNAGC4otiAA3-{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrileHuman5510.40
PKN1PKNAGC4otiAB3-{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrileHuman5470.40
JAK2JakATK6vglD(3r)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrileHuman132200.82
JAK2JakATK6vn8AbaricitinibHuman132910.50
JAK2JakATK6wtoAAbaricitinibHuman135360.50
JAK2JakATK6vglC(3r)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrileHuman132210.82
JAK2JakATK6vs3B(3r)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrileHuman133450.50
JAK2JakATK3fupB3-{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrileHuman36540.40
JAK2JakATK6vnkD(3r)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrileHuman132920.82
JAK2JakATK6vnkA(3r)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrileHuman132930.82
JAK2JakATK6vglA(3r)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrileHuman132230.82
JAK2JakATK6vnkB(3r)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrileHuman132950.82
JAK2JakATK6vncB(3r)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrileHuman133480.50
JAK2JakATK8bxcABitacitinibHuman150410.40
JAK2JakATK6vsnC(3s)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrileHuman133500.82
JAK2JakATK6wtnAB(3r)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrileHuman135400.82
JAK2JakATK6vsnA(3s)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrileHuman133530.82
JAK2JakATK6vn8BbaricitinibHuman133010.50
JAK2JakATK6vsnB(3s)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrileHuman133560.82
JAK2JakATK3fupA3-{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrileHuman37210.40
JAK2JakATK6vnkC(3r)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrileHuman133040.82
JAK2JakATK6vncA(3r)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrileHuman133590.50
TYK2JakATK3lxnA3-{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrileHuman33370.40
BMP2K (BIKE)NAKOther4w9xAbaricitinibHuman32730.50
JAK1JakATK3eygAA3-{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrileHuman14450.40
JAK1JakATK3eygAB3-{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrileHuman14530.40
JAK1JakATK6sm8AA2-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]benzenecarbonitrileHuman122480.65
JAK1JakATK6sm8BB2-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]benzenecarbonitrileHuman122490.65
JAK2JakATK6wtoABbaricitinibHuman135390.50
JAK2JakATK6vs3A(3r)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrileHuman133490.50