KLIFS - the structural kinase database

Searching for structures with analogs of Ropsacitinib.

Search results (16 entries covering 5 PDB structures)

Kinase	Family	Group	PDB	Chain	(Alternate) Model	Orthosteric ligand	Organism	Details	Similarity (MFP)
BTK	Tec	TK	8tu4	A	C	n-methyl-n-[(1s,3r)-3-methyl-3-{[(6m,8s)-6-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}cyclobutyl]propanamide	Human	15355	0.43
BTK	Tec	TK	8tu4	A	B	n-methyl-n-[(1s,3r)-3-methyl-3-{[(6m,8s)-6-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}cyclobutyl]propanamide	Human	15357	0.43
BTK	Tec	TK	8tu4	A	A	n-methyl-n-[(1s,3r)-3-methyl-3-{[(6m,8s)-6-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}cyclobutyl]propanamide	Human	15360	0.43
JAK2	JakA	TK	6x8e	A	B	[3-{4-[6-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1h-pyrazol-1-yl}-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile	Human	13152	0.73
JAK2	JakA	TK	6x8e	B	B	[3-{4-[6-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1h-pyrazol-1-yl}-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile	Human	13153	0.73
JAK2	JakA	TK	6x8e	A	A	[3-{4-[6-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1h-pyrazol-1-yl}-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile	Human	13154	0.73
JAK2	JakA	TK	6x8e	B	A	[3-{4-[6-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1h-pyrazol-1-yl}-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile	Human	13155	0.73
TYK2	JakA	TK	6x8f	C	A	[3-{4-[6-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1h-pyrazol-1-yl}-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile	Human	13156	0.73
TYK2	JakA	TK	6x8f	A	A	[3-{4-[6-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1h-pyrazol-1-yl}-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile	Human	13157	0.73
TYK2	JakA	TK	6x8g	A	A	trans-3-(cyanomethyl)-3-{4-[6-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1h-pyrazol-1-yl}cyclobutane-1-carbonitrile	Human	12992	1.00
TYK2	JakA	TK	6x8f	C	B	[3-{4-[6-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1h-pyrazol-1-yl}-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile	Human	13158	0.73
TYK2	JakA	TK	6x8f	A	B	[3-{4-[6-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1h-pyrazol-1-yl}-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile	Human	13159	0.73
TYK2	JakA	TK	6x8g	A	B	trans-3-(cyanomethyl)-3-{4-[6-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1h-pyrazol-1-yl}cyclobutane-1-carbonitrile	Human	12993	1.00
BTK	Tec	TK	8tu5	A	C	1-[(1s,5s,6s)-6-methyl-6-{[(6m,8r)-6-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}-2-azabicyclo[3.2.0]heptan-2-yl]propan-1-one	Human	15356	0.43
BTK	Tec	TK	8tu5	A	B	1-[(1s,5s,6s)-6-methyl-6-{[(6m,8r)-6-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}-2-azabicyclo[3.2.0]heptan-2-yl]propan-1-one	Human	15358	0.43
BTK	Tec	TK	8tu5	A	A	1-[(1s,5s,6s)-6-methyl-6-{[(6m,8r)-6-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}-2-azabicyclo[3.2.0]heptan-2-yl]propan-1-one	Human	15363	0.43