KLIFS - the structural kinase database

Searching for structures with analogs of Atuzabrutinib.

Search results (69 entries covering 25 PDB structures)

Kinase	Family	Group	PDB	Chain	(Alternate) Model	Orthosteric ligand	Organism	Details	Similarity (MFP)
BTK	Tec	TK	4yhf	A	A	(2s)-2-({(3r)-3-[4-amino-3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}carbonyl)-4,4-dimethylpentanenitrile	Human	2916	0.60
BTK	Tec	TK	7l5p	A	A	(2e)-2-{(3r)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl}-4-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]pent-2-enenitrile	Human	14269	0.83
EGFR	EGFR	TK	5gty	D	B	1-[(3r)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one	Human	8368	0.47
EGFR	EGFR	TK	5j9y	A	A	(r)-1-(3-(4-amino-3-(naphthalen-1-yl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one	Human	6946	0.52
EGFR	EGFR	TK	5gty	C	A	1-[(3r)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one	Human	8366	0.47
EGFR	EGFR	TK	5gnk	A	A	1-[(3r)-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one	Human	7525	0.45
EGFR	EGFR	TK	5yu9	D	A	1-{(3r)-3-[4-amino-3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one	Human	9431	0.64
BTK	Tec	TK	7l5o	A	B	(2e)-2-{(3r)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl}-4-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]pent-2-enenitrile	Human	14271	0.83
EGFR	EGFR	TK	5gty	D	A	1-[(3r)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one	Human	8356	0.47
EGFR	EGFR	TK	5gty	E	A	1-[(3r)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one	Human	8359	0.47
BTK	Tec	TK	7l5o	A	C	(2e)-2-{(3r)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl}-4-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]pent-2-enenitrile	Human	14268	0.83
BTK	Tec	TK	7l5p	A	B	(2e)-2-{(3r)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl}-4-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]pent-2-enenitrile	Human	14270	0.83
EGFR	EGFR	TK	5yu9	A	A	1-{(3r)-3-[4-amino-3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one	Human	9430	0.64
MAP2K7	STE7	STE	6qhr	A		1-[(3~{r})-3-[4-azanyl-3-(1~{h}-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one	Human	11082	0.41
EGFR	EGFR	TK	5yu9	C	A	1-{(3r)-3-[4-amino-3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one	Human	9432	0.64
BTK	Tec	TK	5p9i	A	C	1-{(3r)-3-[4-amino-3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one	Human	7638	0.64
MAP2K7	STE7	STE	7ovj	A	B	1-[(3~{r})-3-[4-azanyl-3-[1-[2,2-bis(fluoranyl)-2-phenyl-ethyl]-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one	Human	14299	0.44
MAP2K7	STE7	STE	6qg7	A		(r)-1-(3-(4-amino-3-(naphthalen-1-yl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one	Human	11083	0.52
MAP2K7	STE7	STE	6qft	A		1-[(3~{r})-3-(4-azanyl-3-iodanyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one	Human	11085	0.42
EGFR	EGFR	TK	5yu9	C	B	1-{(3r)-3-[4-amino-3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one	Human	9427	0.64
EGFR	EGFR	TK	5gty	H	A	1-[(3r)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one	Human	8362	0.47
EGFR	EGFR	TK	5gty	A	A	1-[(3r)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one	Human	8363	0.47
EGFR	EGFR	TK	5gty	E	B	1-[(3r)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one	Human	8353	0.47
BTK	Tec	TK	5p9m	A	A	6-azanyl-9-[(3~{r})-1-[(~{e})-but-2-enoyl]pyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one	Human	7634	0.42
EGFR	EGFR	TK	5gty	B	B	1-[(3r)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one	Human	8367	0.47
EGFR	EGFR	TK	5gty	G	B	1-[(3r)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one	Human	8369	0.47
EGFR	EGFR	TK	5yu9	D	B	1-{(3r)-3-[4-amino-3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one	Human	9429	0.64
EGFR	EGFR	TK	5yu9	B	A	1-{(3r)-3-[4-amino-3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one	Human	9433	0.64
Btk (BTK)	Tec	TK	8ff0	A		6-azanyl-9-[(3~{r})-1-[(~{e})-but-2-enoyl]pyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one	Mouse	14834	0.42
EGFR	EGFR	TK	5gty	A	B	1-[(3r)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one	Human	8352	0.47
EGFR	EGFR	TK	5gty	H	B	1-[(3r)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one	Human	8357	0.47
MAP2K7	STE7	STE	6yg2	A	B	1-[(3~{r})-3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one	Human	12686	0.58
EGFR	EGFR	TK	5gty	F	B	1-[(3r)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one	Human	8364	0.47
EGFR	EGFR	TK	5gty	G	A	1-[(3r)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one	Human	8355	0.47
EGFR	EGFR	TK	5yu9	B	B	1-{(3r)-3-[4-amino-3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one	Human	9434	0.64
EGFR	EGFR	TK	5gty	F	A	1-[(3r)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one	Human	8354	0.47
EGFR	EGFR	TK	5gnk	A	B	1-[(3r)-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one	Human	7524	0.45
MAP2K7	STE7	STE	6yg2	A	A	1-[(3~{r})-3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one	Human	12678	0.58
MAP2K7	STE7	STE	6qg4	A		1-[(3~{r})-3-[4-azanyl-3-(4-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one	Human	11084	0.44
MAP2K7	STE7	STE	7ovi	A		1-[(3~{r})-3-[4-azanyl-3-[1-(2-phenylethyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one	Human	14301	0.44
MAP2K7	STE7	STE	6ib0	A		1-[(3~{r})-3-(4-azanyl-3-ethynyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one	Human	10922	0.49
MAP2K7	STE7	STE	7ovj	A	A	1-[(3~{r})-3-[4-azanyl-3-[1-[2,2-bis(fluoranyl)-2-phenyl-ethyl]-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one	Human	14306	0.44
FGFR1	FGFR	TK	6mzw	B	A	1-[(3s)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1h-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one	Human	11165	0.43
FGFR1	FGFR	TK	6mzq	A	A	1-[(3s)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1h-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one	Human	10860	0.43
FGFR1	FGFR	TK	6mzq	B	A	1-[(3s)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1h-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one	Human	11161	0.43
FGFR1	FGFR	TK	6mzw	A	A	1-[(3s)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1h-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one	Human	11162	0.43
FGFR1	FGFR	TK	6mzq	B	B	1-[(3s)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1h-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one	Human	11171	0.43
FGFR1	FGFR	TK	6mzw	A	B	1-[(3s)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1h-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one	Human	11157	0.43
FGFR1	FGFR	TK	6mzq	A	B	1-[(3s)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1h-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one	Human	11156	0.43
FGFR1	FGFR	TK	6mzw	B	B	1-[(3s)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1h-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one	Human	10857	0.43
EGFR	EGFR	TK	5j9z	A		(r)-1-(3-(4-amino-3-(1-methyl-1h-indol-3-yl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one	Human	6947	0.52
EGFR	EGFR	TK	5gty	B	A	1-[(3r)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one	Human	8360	0.47
EGFR	EGFR	TK	5yu9	A	B	1-{(3r)-3-[4-amino-3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one	Human	9428	0.64
EGFR	EGFR	TK	5j9y	A	B	(r)-1-(3-(4-amino-3-(naphthalen-1-yl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one	Human	6945	0.52
EGFR	EGFR	TK	5gty	C	B	1-[(3r)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one	Human	8358	0.47
ITK	Tec	TK	4hcv	A		3-{4-amino-1-[(3s)-1-propanoylpiperidin-3-yl]-1h-pyrazolo[3,4-d]pyrimidin-3-yl}-n-[4-(propan-2-yl)phenyl]benzamide	Human	32	0.44
ITK	Tec	TK	4hct	A		3-{1-[(3r)-1-acryloylpiperidin-3-yl]-4-amino-1h-pyrazolo[3,4-d]pyrimidin-3-yl}-n-(3-tert-butylphenyl)benzamide	Human	44	0.49
ITK	Tec	TK	4hcu	A		3-{4-amino-1-[(3r)-1-propanoylpiperidin-3-yl]-1h-pyrazolo[3,4-d]pyrimidin-3-yl}-n-[4-(propan-2-yl)phenyl]benzamide	Human	81	0.44
BTK	Tec	TK	5p9j	A	B	1-[(3~{r})-3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one	Human	7628	0.58
BTK	Tec	TK	5p9i	A	A	1-{(3r)-3-[4-amino-3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one	Human	7627	0.64
BTK	Tec	TK	4yhf	B	B	(2s)-2-({(3r)-3-[4-amino-3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}carbonyl)-4,4-dimethylpentanenitrile	Human	2912	0.60
BTK	Tec	TK	5p9m	A	B	6-azanyl-9-[(3~{r})-1-[(~{e})-but-2-enoyl]pyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one	Human	7639	0.42
BTK	Tec	TK	4yhf	B	A	(2s)-2-({(3r)-3-[4-amino-3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}carbonyl)-4,4-dimethylpentanenitrile	Human	2897	0.60
BTK	Tec	TK	5p9j	A	C	1-[(3~{r})-3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one	Human	7640	0.58
BTK	Tec	TK	5p9j	A	A	1-[(3~{r})-3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one	Human	7637	0.58
BTK	Tec	TK	5p9i	A	B	1-{(3r)-3-[4-amino-3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one	Human	7642	0.64
BTK	Tec	TK	5p9m	A	C	6-azanyl-9-[(3~{r})-1-[(~{e})-but-2-enoyl]pyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one	Human	7641	0.42
BTK	Tec	TK	4yhf	A	B	(2s)-2-({(3r)-3-[4-amino-3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}carbonyl)-4,4-dimethylpentanenitrile	Human	2902	0.60
BTK	Tec	TK	7l5o	A	A	(2e)-2-{(3r)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl}-4-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]pent-2-enenitrile	Human	14272	0.83