KLIFS - the structural kinase database

Searching for structures with analogs of Tofacitinib.

Search results (53 entries covering 23 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	0.41
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	0.41
JAK2	JakA	TK	5tq6	A		{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}(pyrrolidin-1-yl)methanone	Human	7354	0.72
JAK3	JakA	TK	5ttu	A	B	1-[(3ar,7ar)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)octahydro-6h-pyrrolo[2,3-c]pyridin-6-yl]propan-1-one	Human	7438	0.46
BTK	Tec	TK	8flv	A	C	2-(3,5-dichloroanilino)-1-{(3r)-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}ethan-1-one	Human	14697	0.53
BTK	Tec	TK	8flv	A	A	2-(3,5-dichloroanilino)-1-{(3r)-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}ethan-1-one	Human	14698	0.53
BTK	Tec	TK	8flv	A	B	2-(3,5-dichloroanilino)-1-{(3r)-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}ethan-1-one	Human	14699	0.53
JAK3	JakA	TK	7c3n	A	B	3-[(3s,4r)-3-methyl-7-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile	Human	12391	0.50
BTK	Tec	TK	8flh	A	A	2-(3,5-dichloroanilino)-1-{(3r)-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]azepan-1-yl}ethan-1-one	Human	14637	0.53
BTK	Tec	TK	8flh	A	B	2-(3,5-dichloroanilino)-1-{(3r)-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]azepan-1-yl}ethan-1-one	Human	14638	0.53
JAK1	JakA	TK	5khx	A	A	~{n}-[3-[methyl(7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanesulfonamide	Human	7167	0.40
JAK1	JakA	TK	6bbu	A	A	n-{cis-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide	Human	9497	0.41
JAK1	JakA	TK	5khx	A	B	~{n}-[3-[methyl(7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanesulfonamide	Human	7166	0.40
JAK1	JakA	TK	4i5c	B	B	3-oxo-3-[(3r)-3-(pyrrolo[2,3-b][1,2,3]triazolo[4,5-d]pyridin-1(6h)-yl)piperidin-1-yl]propanenitrile	Human	1458	0.56
JAK3	JakA	TK	7c3n	A	C	3-[(3s,4r)-3-methyl-7-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile	Human	12390	0.50
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	1.00
BTK	Tec	TK	8flh	A	C	2-(3,5-dichloroanilino)-1-{(3r)-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]azepan-1-yl}ethan-1-one	Human	14639	0.53
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	0.41
JAK3	JakA	TK	5toz	A		1-{(2s,5r)-2-methyl-5-[(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one	Human	7163	0.42
JAK3	JakA	TK	5tts	A		1-{(3r)-3-[(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one	Human	7439	0.47
JAK3	JakA	TK	5ttu	A	A	1-[(3ar,7ar)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)octahydro-6h-pyrrolo[2,3-c]pyridin-6-yl]propan-1-one	Human	7435	0.46
JAK3	JakA	TK	7c3n	A	A	3-[(3s,4r)-3-methyl-7-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile	Human	12389	0.50
JAK2	JakA	TK	5tq7	B		{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}[(3r)-3-(phenylsulfonyl)pyrrolidin-1-yl]methanone	Human	7353	0.62
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	0.41
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	1.00
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	1.00
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	0.41
JAK2	JakA	TK	5tq7	A		{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}[(3r)-3-(phenylsulfonyl)pyrrolidin-1-yl]methanone	Human	7355	0.62
JAK2	JakA	TK	5tq6	B		{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}(pyrrolidin-1-yl)methanone	Human	7361	0.72
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	0.41
JAK2	JakA	TK	4e6d	B	B	3-[(3r)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl)piperidin-1-yl]-3-oxopropanenitrile	Human	3647	0.50
JAK2	JakA	TK	6bbv	A		n-{cis-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide	Human	9504	0.41
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	1.00
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	0.41
JAK2	JakA	TK	4e6d	B	A	3-[(3r)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl)piperidin-1-yl]-3-oxopropanenitrile	Human	3631	0.50
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	0.41
JAK2	JakA	TK	4e6d	A	A	3-[(3r)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl)piperidin-1-yl]-3-oxopropanenitrile	Human	3689	0.50
JAK2	JakA	TK	4e6d	A	B	3-[(3r)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl)piperidin-1-yl]-3-oxopropanenitrile	Human	3656	0.50
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	0.41
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	0.41
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	0.41
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	0.41
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	0.41
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	0.41
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	1.00
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	0.41
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	1.00
JAK1	JakA	TK	4i5c	B	A	3-oxo-3-[(3r)-3-(pyrrolo[2,3-b][1,2,3]triazolo[4,5-d]pyridin-1(6h)-yl)piperidin-1-yl]propanenitrile	Human	1467	0.56
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	1.00
JAK1	JakA	TK	4i5c	A	A	3-oxo-3-[(3r)-3-(pyrrolo[2,3-b][1,2,3]triazolo[4,5-d]pyridin-1(6h)-yl)piperidin-1-yl]propanenitrile	Human	1446	0.56
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	1.00
JAK1	JakA	TK	6bbu	A	B	n-{cis-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide	Human	9496	0.41
JAK1	JakA	TK	4i5c	A	B	3-oxo-3-[(3r)-3-(pyrrolo[2,3-b][1,2,3]triazolo[4,5-d]pyridin-1(6h)-yl)piperidin-1-yl]propanenitrile	Human	1471	0.56