KLIFS - the structural kinase database

Searching for structures with analogs of Abrocitinib.

Search results (23 entries covering 12 PDB structures)

Kinase	Family	Group	PDB	Chain	(Alternate) Model	Orthosteric ligand	Organism	Details	Similarity (MFP)
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	0.42
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	0.43
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	0.43
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	0.43
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	0.43
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	0.43
JAK1	JakA	TK	5khx	A	A	~{n}-[3-[methyl(7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanesulfonamide	Human	7167	0.79
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	1.00
JAK1	JakA	TK	5khx	A	B	~{n}-[3-[methyl(7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanesulfonamide	Human	7166	0.79
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	0.41
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	0.43
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	0.42
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	0.41
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	0.41
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	0.42
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	0.42
JAK2	JakA	TK	6bbv	A		n-{cis-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide	Human	9504	1.00
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	0.41
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	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	0.41
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	0.41
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	0.41
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	1.00