KLIFS - the structural kinase database

Searching for structures with analogs of Entrectinib.

Search results (24 entries covering 11 PDB structures)

Kinase	Family	Group	PDB	Chain	(Alternate) Model	Orthosteric ligand	Organism	Details	Similarity (MFP)
AURKA (AurA)	Aur	Other	2bmc	C		(3e)-n-(2,6-diethylphenyl)-3-{[4-(4-methylpiperazin-1-yl)benzoyl]imino}pyrrolo[3,4-c]pyrazole-5(3h)-carboxamide	Human	2060	0.42
FGFR4	FGFR	TK	7wct	A		~{n}-[2-[[5-[(1~{r})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{h}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide	Human	14167	0.40
AURKA (AurA)	Aur	Other	2bmc	D		(3e)-n-(2,6-diethylphenyl)-3-{[4-(4-methylpiperazin-1-yl)benzoyl]imino}pyrrolo[3,4-c]pyrazole-5(3h)-carboxamide	Human	1984	0.42
AURKA (AurA)	Aur	Other	2bmc	A		(3e)-n-(2,6-diethylphenyl)-3-{[4-(4-methylpiperazin-1-yl)benzoyl]imino}pyrrolo[3,4-c]pyrazole-5(3h)-carboxamide	Human	2015	0.42
CDK2	CDK	CMGC	2r64	A		n-[5-(1,1-dioxidoisothiazolidin-2-yl)-1h-indazol-3-yl]-2-(4-piperidin-1-ylphenyl)acetamide	Human	4425	0.44
FGFR4	FGFR	TK	7wcw	A		~{n}-[2-[[5-[(1~{r})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{h}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide	Human	14168	0.40
FGFR1	FGFR	TK	4uwb	B	B	n-[4-(4-methylpiperazin-1-yl)phenyl]-1h-indazole-3-carboxamide	Human	6022	0.42
FGFR1	FGFR	TK	4uwb	B	A	n-[4-(4-methylpiperazin-1-yl)phenyl]-1h-indazole-3-carboxamide	Human	6018	0.42
AURKA (AurA)	Aur	Other	2bmc	E		(3e)-n-(2,6-diethylphenyl)-3-{[4-(4-methylpiperazin-1-yl)benzoyl]imino}pyrrolo[3,4-c]pyrazole-5(3h)-carboxamide	Human	2069	0.42
AURKA (AurA)	Aur	Other	2j4z	B		4-(4-methylpiperazin-1-yl)-n-[5-(2-thienylacetyl)-1,5-dihydropyrrolo[3,4-c]pyrazol-3-yl]benzamide	Human	1990	0.40
FGFR4	FGFR	TK	7wcx	A		~{n}-[2-[[5-[(1~{r})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{h}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide	Human	14166	0.40
AURKA (AurA)	Aur	Other	2bmc	F		(3e)-n-(2,6-diethylphenyl)-3-{[4-(4-methylpiperazin-1-yl)benzoyl]imino}pyrrolo[3,4-c]pyrazole-5(3h)-carboxamide	Human	1993	0.42
AURKA (AurA)	Aur	Other	2j4z	A		4-(4-methylpiperazin-1-yl)-n-[5-(2-thienylacetyl)-1,5-dihydropyrrolo[3,4-c]pyrazol-3-yl]benzamide	Human	2053	0.40
PLK1	PLK	Other	2owb	A	B	4-(4-methylpiperazin-1-yl)-n-[5-(2-thienylacetyl)-1,5-dihydropyrrolo[3,4-c]pyrazol-3-yl]benzamide	Human	4958	0.40
FGFR1	FGFR	TK	4uwb	A	B	n-[4-(4-methylpiperazin-1-yl)phenyl]-1h-indazole-3-carboxamide	Human	6023	0.42
PLK1	PLK	Other	2owb	A	A	4-(4-methylpiperazin-1-yl)-n-[5-(2-thienylacetyl)-1,5-dihydropyrrolo[3,4-c]pyrazol-3-yl]benzamide	Human	4974	0.40
AURKA (AurA)	Aur	Other	2bmc	B		(3e)-n-(2,6-diethylphenyl)-3-{[4-(4-methylpiperazin-1-yl)benzoyl]imino}pyrrolo[3,4-c]pyrazole-5(3h)-carboxamide	Human	2008	0.42
ALK	ALK	TK	5fto	A	A	entrectinib	Human	6520	0.63
ALK	ALK	TK	5ftq	A	A	n-[5-(3,5-difluorobenzyl)-1h-indazol-3-yl]-2-[(4-hydroxycyclohexyl)amino]-4-(4-methylpiperazin-1-yl) benzamide	Human	6519	0.89
ALK	ALK	TK	5fto	A	B	entrectinib	Human	6521	0.63
ALK	ALK	TK	5ftq	A	B	n-[5-(3,5-difluorobenzyl)-1h-indazol-3-yl]-2-[(4-hydroxycyclohexyl)amino]-4-(4-methylpiperazin-1-yl) benzamide	Human	6518	0.89
NTRK1 (TRKA)	Trk	TK	5kvt	A	B	entrectinib	Human	9451	0.63
FGFR1	FGFR	TK	4uwb	A	A	n-[4-(4-methylpiperazin-1-yl)phenyl]-1h-indazole-3-carboxamide	Human	6020	0.42
NTRK1 (TRKA)	Trk	TK	5kvt	A	A	entrectinib	Human	9450	0.63