KLIFS - the structural kinase database

Searching for structures with analogs of Lorpucitinib.

Search results (58 entries covering 17 PDB structures)

Kinase	Family	Group	PDB	Chain	(Alternate) Model	Orthosteric ligand	Organism	Details	Similarity (MFP)
JAK1	JakA	TK	4ivd	B	B	3-(trans-4-{2-[(1r)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl}cyclohexyl)propanenitrile	Human	1457	0.57
JAK1	JakA	TK	4ehz	C	B	2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine	Human	1476	0.43
JAK3	JakA	TK	6gla	B	A	(~{e})-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]prop-2-enenitrile	Human	10017	0.43
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	0.41
JAK3	JakA	TK	5lwm	A	A	2-cyano-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl)furan-2-yl]-~{n},~{n}-dimethyl-prop-2-enamide	Human	7115	0.46
JAK3	JakA	TK	6gla	B	B	(~{e})-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]prop-2-enenitrile	Human	10022	0.43
JAK1	JakA	TK	4ivb	A	A	trans-4-{2-[(1r)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl}cyclohexanecarbonitrile	Human	1486	0.47
JAK1	JakA	TK	4e5w	B	A	[4-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl)piperidin-1-yl][(2s)-1-(propan-2-yl)pyrrolidin-2-yl]methanone	Human	1447	0.40
JAK1	JakA	TK	4ivc	B		(trans-4-{2-[(1r)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl}cyclohexyl)acetonitrile	Human	1456	0.61
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	0.41
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	0.41
JAK1	JakA	TK	4ei4	B		(1r,3r)-3-(2-methylimidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(8h)-yl)cyclohexanol	Human	1483	0.40
JAK1	JakA	TK	4ivc	A		(trans-4-{2-[(1r)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl}cyclohexyl)acetonitrile	Human	1461	0.61
JAK2	JakA	TK	4iva	A	A	trans-4-{2-[(1r)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl}cyclohexanecarbonitrile	Human	3673	0.47
JAK1	JakA	TK	4fk6	A	B	n-({1-[(1r,2r,4s)-bicyclo[2.2.1]hept-2-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl}methyl)methanesulfonamide	Human	1460	0.45
JAK1	JakA	TK	4ivd	B	A	3-(trans-4-{2-[(1r)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl}cyclohexyl)propanenitrile	Human	1490	0.57
JAK1	JakA	TK	4e4n	A		tert-butyl [(1r,3r)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl)cyclopentyl]carbamate	Human	1443	0.44
JAK1	JakA	TK	4ehz	A	A	2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine	Human	1482	0.43
JAK1	JakA	TK	4ivd	A	A	3-(trans-4-{2-[(1r)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl}cyclohexyl)propanenitrile	Human	1489	0.57
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	0.41
JAK1	JakA	TK	4ivd	A	B	3-(trans-4-{2-[(1r)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl}cyclohexyl)propanenitrile	Human	1474	0.57
JAK2	JakA	TK	4f09	A		2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine	Human	3622	0.43
JAK2	JakA	TK	4iva	A	C	trans-4-{2-[(1r)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl}cyclohexanecarbonitrile	Human	3714	0.47
JAK1	JakA	TK	4e5w	B	B	[4-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl)piperidin-1-yl][(2s)-1-(propan-2-yl)pyrrolidin-2-yl]methanone	Human	1477	0.40
JAK1	JakA	TK	4e5w	A	A	[4-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl)piperidin-1-yl][(2s)-1-(propan-2-yl)pyrrolidin-2-yl]methanone	Human	1452	0.40
JAK3	JakA	TK	6gla	A	A	(~{e})-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]prop-2-enenitrile	Human	10018	0.43
JAK1	JakA	TK	4ivb	B	A	trans-4-{2-[(1r)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl}cyclohexanecarbonitrile	Human	1472	0.47
JAK2	JakA	TK	4iva	A	B	trans-4-{2-[(1r)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl}cyclohexanecarbonitrile	Human	3725	0.47
JAK3	JakA	TK	6gl9	A	B	(~{e})-3-[3-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)phenyl]prop-2-enenitrile	Human	10016	0.43
JAK3	JakA	TK	6gl9	B	A	(~{e})-3-[3-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)phenyl]prop-2-enenitrile	Human	10019	0.43
JAK3	JakA	TK	6glb	A	A	3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]propanenitrile	Human	10020	0.45
JAK3	JakA	TK	6gla	A	B	(~{e})-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]prop-2-enenitrile	Human	10012	0.43
JAK3	JakA	TK	5lwn	A	A	(~{z})-2-cyano-~{n},~{n}-dimethyl-3-[5-[3-[(1~{s},2~{r})-2-methylcyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl]furan-2-yl]prop-2-enamide	Human	7117	0.41
JAK1	JakA	TK	4ehz	B	B	2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine	Human	1481	0.43
JAK3	JakA	TK	5lwn	A	B	(2~{s})-2-cyano-~{n},~{n}-dimethyl-3-[5-[3-[(1~{s},2~{r})-2-methylcyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl]furan-2-yl]propanamide	Human	7116	0.41
JAK3	JakA	TK	5lwm	A	B	2-cyano-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl)furan-2-yl]-~{n},~{n}-dimethyl-prop-2-enamide	Human	7118	0.46
JAK3	JakA	TK	6gl9	A	A	(~{e})-3-[3-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)phenyl]prop-2-enenitrile	Human	10014	0.43
JAK3	JakA	TK	6glb	A	B	3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]propanenitrile	Human	10023	0.45
JAK3	JakA	TK	6glb	B	B	3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]propanenitrile	Human	10015	0.45
JAK3	JakA	TK	6glb	B	A	3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]propanenitrile	Human	10021	0.45
JAK3	JakA	TK	6gl9	B	B	(~{e})-3-[3-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)phenyl]prop-2-enenitrile	Human	10013	0.43
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	0.41
JAK1	JakA	TK	4ehz	D	B	2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine	Human	1451	0.43
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	0.41
JAK1	JakA	TK	4fk6	A	A	n-({1-[(1r,2r,4s)-bicyclo[2.2.1]hept-2-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl}methyl)methanesulfonamide	Human	1465	0.45
JAK1	JakA	TK	4ehz	D	A	2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine	Human	1485	0.43
JAK1	JakA	TK	4ivb	A	B	trans-4-{2-[(1r)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl}cyclohexanecarbonitrile	Human	1479	0.47
JAK1	JakA	TK	4ei4	A		(1r,3r)-3-(2-methylimidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(8h)-yl)cyclohexanol	Human	1480	0.40
JAK1	JakA	TK	4fk6	B	B	n-({1-[(1r,2r,4s)-bicyclo[2.2.1]hept-2-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl}methyl)methanesulfonamide	Human	1459	0.45
JAK1	JakA	TK	4e4n	B		tert-butyl [(1r,3r)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl)cyclopentyl]carbamate	Human	1454	0.44
JAK1	JakA	TK	4ehz	C	A	2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine	Human	1470	0.43
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	0.41
JAK1	JakA	TK	4ivb	B	B	trans-4-{2-[(1r)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl}cyclohexanecarbonitrile	Human	1444	0.47
JAK1	JakA	TK	4fk6	B	A	n-({1-[(1r,2r,4s)-bicyclo[2.2.1]hept-2-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl}methyl)methanesulfonamide	Human	1487	0.45
JAK1	JakA	TK	4e5w	A	B	[4-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl)piperidin-1-yl][(2s)-1-(propan-2-yl)pyrrolidin-2-yl]methanone	Human	1473	0.40
JAK1	JakA	TK	4ehz	A	B	2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine	Human	1463	0.43
JAK1	JakA	TK	4ehz	B	A	2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine	Human	1448	0.43
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	0.41