Searching for structures with analogs of Simotinib.

Search results (33 entries covering 23 PDB structures)

#KinaseFamilyGroupPDBChain(Alternate) Model Orthosteric ligandOrganismDetailsSimilarity (MFP)File
EPHB4 (EphB4)EphTK2vwuAn-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amineHuman3700.46
EGFREGFRTK2ityAgefitinibHuman7900.68
EGFREGFRTK2itzAgefitinibHuman7890.68
TTBK1TTBKCK14btkA4-[3-hydroxyanilino]-6,7-dimethoxyquinazolineHuman7710.40
EGFREGFRTK3ug2ABgefitinibHuman8190.68
EGFREGFRTK4i22AgefitinibHuman8230.68
EGFREGFRTK4i24A(2e)-n-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamideHuman8310.51
EGFREGFRTK4g5pAn-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3s)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamideHuman8090.47
EGFREGFRTK4wkqABgefitinibHuman8370.68
EGFREGFRTK4i23A(2e)-n-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamideHuman8700.51
EGFREGFRTK4g5jABn-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3s)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamideHuman8520.47
EGFREGFRTK4wkqAAgefitinibHuman8890.68
EGFREGFRTK4i24B(2e)-n-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamideHuman9100.51
EGFREGFRTK3ug2AAgefitinibHuman8980.68
AURKA (AurA)AurOther2c6eBn-{5-[(7-{[(2s)-2-hydroxy-3-piperidin-1-ylpropyl]oxy}-6-methoxyquinazolin-4-yl)amino]pyrimidin-2-yl}benzamideHuman20460.42
MAPK14 (p38a)MAPKCMGC4a9yAn-(3-{[7-methoxy-6-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]amino}-4-methylphenyl)-2-morpholin-4-ylisonicotinamideHuman50730.43
MAPK14 (p38a)MAPKCMGC2bakAn-(3-{[7-methoxy-6-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]amino}-4-methylphenyl)-2-morpholin-4-ylisonicotinamideHuman51140.43
EGFREGFRTK4g5jAAn-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3s)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamideHuman7940.47
AURKA (AurA)AurOther2c6eAn-{5-[(7-{[(2s)-2-hydroxy-3-piperidin-1-ylpropyl]oxy}-6-methoxyquinazolin-4-yl)amino]pyrimidin-2-yl}benzamideHuman19890.42
RETRetTK2ivuA4-bromo-2-fluoro-n-[(4e)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4(1h)-ylidene]anilineHuman33640.43
RETRetTK5amnA4-[3-hydroxyanilino]-6,7-dimethoxyquinazolineHuman64120.40
EGFREGFRTK2itoAgefitinibHuman7830.68
CDK2CDKCMGC1di8A4-[3-hydroxyanilino]-6,7-dimethoxyquinazolineHuman45770.40
GAKNAKOther5y7zAgefitinibHuman103320.68
GAKNAKOther5y7zBgefitinibHuman103310.68
GAKNAKOther5y80ABgefitinibHuman103300.68
GAKNAKOther5y80AAgefitinibHuman103290.68
EGFREGFRTK5y25A(2r)-n-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]-1-(2-fluoranylethanoyl)pyrrolidine-2-carboxamideHuman103730.49
TTBK2TTBKCK16u0kAA4-[3-hydroxyanilino]-6,7-dimethoxyquinazolineHuman120460.40
TTBK2TTBKCK16u0kBB4-[3-hydroxyanilino]-6,7-dimethoxyquinazolineHuman120470.40
TTBK2TTBKCK16u0kAB4-[3-hydroxyanilino]-6,7-dimethoxyquinazolineHuman120480.40
TTBK2TTBKCK16u0kBA4-[3-hydroxyanilino]-6,7-dimethoxyquinazolineHuman120490.40
MAPK14 (p38a)MAPKCMGC1di9A4-[3-methylsulfanylanilino]-6,7-dimethoxyquinazolineHuman52510.42