KLIFS - the structural kinase database

Searching for structures with analogs of Ilunocitinib.

Search results (44 entries covering 20 PDB structures)

Kinase	Family	Group	PDB	Chain	(Alternate) Model	Orthosteric ligand	Organism	Details	Similarity (MFP)
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	0.54
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	0.54
JAK3	JakA	TK	6db3	A	B	[(1s)-1-methyl-6-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1h-inden-1-yl]cyanamide	Human	10719	0.41
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	0.44
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	0.44
JAK3	JakA	TK	6db3	A	A	[(1s)-1-methyl-6-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1h-inden-1-yl]cyanamide	Human	10718	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	0.42
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	0.54
JAK2	JakA	TK	8bxc	A	A	itacitinib	Human	15037	0.58
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	0.54
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	0.42
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	0.42
JAK2	JakA	TK	6wtp	A	B	tert-butyl 4-[(4-{1-[3-(cyanomethyl)-1-(ethylsulfonyl)azetidin-3-yl]-1h-pyrazol-4-yl}-7h-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzoate	Human	13542	0.51
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	0.54
JAK2	JakA	TK	6vn8	A		baricitinib	Human	13291	0.81
JAK2	JakA	TK	6wto	A	A	baricitinib	Human	13536	0.81
JAK2	JakA	TK	7ll4	A	A	{1-(ethylsulfonyl)-3-[4-(2-{[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]azetidin-3-yl}acetonitrile	Human	14035	0.49
JAK2	JakA	TK	7ree	A	A	[3-(4-{2-[3,5-difluoro-4-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)anilino]-7h-pyrrolo[2,3-d]pyrimidin-4-yl}-1h-pyrazol-1-yl)-1-(ethanesulfonyl)azetidin-3-yl]acetonitrile	Human	13855	0.45
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	0.54
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	0.42
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	0.54
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	0.54
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	0.54
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	0.54
JAK2	JakA	TK	8bxc	A	B	itacitinib	Human	15041	0.58
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	0.54
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	0.54
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	0.54
JAK2	JakA	TK	6wtp	A	A	tert-butyl 4-[(4-{1-[3-(cyanomethyl)-1-(ethylsulfonyl)azetidin-3-yl]-1h-pyrazol-4-yl}-7h-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzoate	Human	13541	0.51
JAK2	JakA	TK	6vn8	B		baricitinib	Human	13301	0.81
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	0.54
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	0.42
JAK2	JakA	TK	7ll5	A	A	{1-(ethylsulfonyl)-3-[4-(2-{[4-(1-methylpiperidin-4-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]azetidin-3-yl}acetonitrile	Human	14036	0.53
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	0.54
JAK2	JakA	TK	7ll4	A	B	{1-(ethylsulfonyl)-3-[4-(2-{[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]azetidin-3-yl}acetonitrile	Human	14037	0.49
JAK2	JakA	TK	7ree	A	B	[3-(4-{2-[3,5-difluoro-4-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)anilino]-7h-pyrrolo[2,3-d]pyrimidin-4-yl}-1h-pyrazol-1-yl)-1-(ethanesulfonyl)azetidin-3-yl]acetonitrile	Human	13856	0.45
JAK2	JakA	TK	7ll5	A	B	{1-(ethylsulfonyl)-3-[4-(2-{[4-(1-methylpiperidin-4-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]azetidin-3-yl}acetonitrile	Human	14038	0.53
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	0.42
BMP2K (BIKE)	NAK	Other	4w9x	A		baricitinib	Human	3273	0.81
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	0.42
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	0.42
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	0.44
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	0.44
JAK2	JakA	TK	6wto	A	B	baricitinib	Human	13539	0.81