5WE · 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino) butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide

Binding sites

5WE in 5 structures; the first of them:

• 5FBN · BTK kinase domain with inhibitor 1 · 5WE C702 · binds ILE397, TRP421, TYR425, ASP426, VAL427, SER453, GLN459, TYR461
• 5FBO · BTK-inhibitor co-structure · 5WE A1002 · binds SER394, TRP395, ILE397, TRP421, TYR425, VAL427, SER453, GLN459 and 2 more
• 6X3N · Co-structure of BTK kinase domain with L-005085737 inhibitor · 5WE A702 · binds SER394, TRP395, ILE397, TRP421, TYR425, VAL427, SER453, GLN459 and 2 more
• 6X3N · Co-structure of btk kinase domain with L-005085737 inhibitor · 5WE A702 · binds SER394, TRP395, ILE397, TRP421, TYR425, VAL427, SER453, TYR461
• 6X3O · Co-structure of btk kinase domain with L-005191930 inhibitor · 5WE A702 · binds TRP395, ILE397, TRP421, TYR425, VAL427, SER453, TYR461

Residues it binds most

TYR 9, SER 7, TRP 7, VAL 7, ILE 6, GLN 4, LEU 3, GLU 2, ARG 1, ASP 1 (residue and the binding sites it lines).

Found with

• ULV · 4-{8-amino-3-[(6r,8as)-3-oxohexahydro-3H-[1, 3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
• 5WF · 4-[8-azanyl-3-[(3~{R})-1-(3-methyloxetan-3-yl)carbonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide
• 5WH · 4-[8-azanyl-3-[(3~{R},6~{S})-1-cyclopropylcarbonyl-6-methyl-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoranyl-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide
• ULY · 4-{8-amino-3-[(6r,8as)-3-oxo-3,5,6,7,8,8A-hexahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
• CL · Chloride ion
• EDO · 1,2-ethanediol