KLIFS - the structural kinase database

Searching for structures with analogs of Simotinib.

Search results (36 entries covering 26 PDB structures)

Kinase	Family	Group	PDB	Chain	(Alternate) Model	Orthosteric ligand	Organism	Details	Similarity (MFP)
EGFR	EGFR	TK	7u9a	A		4-(5-chloro-4-fluoro-2-hydroxyanilino)-7-methoxyquinazolin-6-ol	Human	14527	0.41
EGFR	EGFR	TK	7u98	A		19-chloro-18-fluoro-22-methoxy-8,9,11,12,14,15-hexahydro-21h-4,6-ethenopyrimido[5,4-m][1,4,7,10,15]benzotetraoxazacycloheptadecine	Human	14526	0.40
EGFR	EGFR	TK	4i23	A		(2e)-n-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide	Human	870	0.51
AURKA (AurA)	Aur	Other	2c6e	A		n-{5-[(7-{[(2s)-2-hydroxy-3-piperidin-1-ylpropyl]oxy}-6-methoxyquinazolin-4-yl)amino]pyrimidin-2-yl}benzamide	Human	1989	0.42
EGFR	EGFR	TK	4g5j	A	B	n-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3s)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide	Human	852	0.47
EGFR	EGFR	TK	3ug2	A	A	gefitinib	Human	898	0.68
GAK	NAK	Other	5y80	A	A	gefitinib	Human	10329	0.68
GAK	NAK	Other	5y7z	A		gefitinib	Human	10332	0.68
EGFR	EGFR	TK	4i24	A		(2e)-n-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide	Human	831	0.51
CDK2	CDK	CMGC	1di8	A		4-[3-hydroxyanilino]-6,7-dimethoxyquinazoline	Human	4577	0.40
GAK	NAK	Other	5y7z	B		gefitinib	Human	10331	0.68
EGFR	EGFR	TK	3ug2	A	B	gefitinib	Human	819	0.68
EGFR	EGFR	TK	2ito	A		gefitinib	Human	783	0.68
EGFR	EGFR	TK	2itz	A		gefitinib	Human	789	0.68
AURKA (AurA)	Aur	Other	2c6e	B		n-{5-[(7-{[(2s)-2-hydroxy-3-piperidin-1-ylpropyl]oxy}-6-methoxyquinazolin-4-yl)amino]pyrimidin-2-yl}benzamide	Human	2046	0.42
EGFR	EGFR	TK	5y25	A		(2r)-n-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]-1-(2-fluoranylethanoyl)pyrrolidine-2-carboxamide	Human	10373	0.49
EGFR	EGFR	TK	4g5j	A	A	n-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3s)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide	Human	794	0.47
GAK	NAK	Other	5y80	A	B	gefitinib	Human	10330	0.68
EPHB4 (EphB4)	Eph	TK	2vwu	A		n-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine	Human	370	0.46
ABL1	Abl	TK	8ssn	A		6,7-dimethoxy-n-(4-phenoxyphenyl)quinazolin-4-amine	Human	14878	0.41
MAPK14 (p38a)	MAPK	CMGC	1di9	A		4-[3-methylsulfanylanilino]-6,7-dimethoxyquinazoline	Human	5251	0.42
MAPK14 (p38a)	MAPK	CMGC	4a9y	A		n-(3-{[7-methoxy-6-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]amino}-4-methylphenyl)-2-morpholin-4-ylisonicotinamide	Human	5073	0.43
MAPK14 (p38a)	MAPK	CMGC	2bak	A		n-(3-{[7-methoxy-6-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]amino}-4-methylphenyl)-2-morpholin-4-ylisonicotinamide	Human	5114	0.43
TTBK1	TTBK	CK1	4btk	A		4-[3-hydroxyanilino]-6,7-dimethoxyquinazoline	Human	771	0.40
RET	Ret	TK	2ivu	A		4-bromo-2-fluoro-n-[(4e)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4(1h)-ylidene]aniline	Human	3364	0.43
EGFR	EGFR	TK	4i22	A		gefitinib	Human	823	0.68
EGFR	EGFR	TK	4wkq	A	A	gefitinib	Human	889	0.68
EGFR	EGFR	TK	4g5p	A		n-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3s)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide	Human	809	0.47
EGFR	EGFR	TK	4wkq	A	B	gefitinib	Human	837	0.68
EGFR	EGFR	TK	4i24	B		(2e)-n-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide	Human	910	0.51
EGFR	EGFR	TK	2ity	A		gefitinib	Human	790	0.68
TTBK2	TTBK	CK1	6u0k	B	A	4-[3-hydroxyanilino]-6,7-dimethoxyquinazoline	Human	12049	0.40
TTBK2	TTBK	CK1	6u0k	A	A	4-[3-hydroxyanilino]-6,7-dimethoxyquinazoline	Human	12046	0.40
TTBK2	TTBK	CK1	6u0k	B	B	4-[3-hydroxyanilino]-6,7-dimethoxyquinazoline	Human	12047	0.40
TTBK2	TTBK	CK1	6u0k	A	B	4-[3-hydroxyanilino]-6,7-dimethoxyquinazoline	Human	12048	0.40
RET	Ret	TK	5amn	A		4-[3-hydroxyanilino]-6,7-dimethoxyquinazoline	Human	6412	0.40