IBI · N-{trans-4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl}-4-{[(7R)-7-ethyl-5-methyl-8-(1-methylethyl)-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxybenzamide

Binding sites

IBI in 12 structures; the first of them:

• 3FC2 · PLK1 in complex with BI6727 · IBI A10 · binds ARG57, PHE58, LEU59, CYS67, GLU69, ALA80, LYS82, VAL114 and 8 more
• 5V67 · CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH Volasertib · IBI A201 · binds TRP81, PRO82, PHE83, GLN85, VAL87, LEU92, LEU94, TYR97 and 4 more
• 5VBR · CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRDT IN COMPLEX WITH Volasertib · IBI A201 · binds TRP50, PRO51, PHE52, VAL56, LYS60, LEU61, GLN62, LEU63 and 5 more
• 7LAK · Crystal structure of the first bromodomain (BD1) of human BRD2 bound to volasertib · IBI A201 · binds TRP97, PRO98, PHE99, GLN101, VAL103, LEU108, LEU110, TYR113 and 4 more
• 7LEJ · Crystal structure of the second bromodomain (BD2) of human BRDT bound to Volasertib · IBI A401 · binds TRP293, PRO294, PHE295, VAL299, ALA303, LEU304, LEU306, TYR309 and 5 more
• 7N7N · Crystal Structure of PI5P4KIIAlpha complex with Volasertib · IBI A501 · binds ASN124, PHE134, THR136, ILE143, LYS145, PRO176, THR196, ARG197 and 10 more
• 3FC2 · PLK1 in complex with BI6727 · IBI A10 · binds ARG57, PHE58, LEU59, CYS67, GLU69, ALA80, LYS82, VAL114 and 8 more
• 5V67 · Crystal structure of the first bromodomain of human BRD4 in complex with volasertib · IBI A201 · binds TRP81, PRO82, PHE83, GLN85, VAL87, LEU92, LEU94, TYR97 and 3 more
• 5VBR · Crystal structure of the first bromodomain of human brdt in complex with volasertib · IBI A201 · binds TRP50, PRO51, PHE52, VAL56, LYS60, LEU61, GLN62, LEU63 and 5 more
• 7LAK · Crystal structure of the first bromodomain (BD1) of human BRD2 bound to volasertib · IBI A201 · binds TRP97, PRO98, GLN101, VAL103, LEU108, LEU110, TYR113, TYR155 and 2 more
• 7LEJ · Crystal structure of the second bromodomain (BD2) of human brdt bound to volasertib · IBI A401 · binds TRP293, PRO294, PHE295, VAL299, LEU304, LEU306, TYR309, CYS348 and 4 more
• 7N7N · Crystal structure of PI5P4KIIALPHA complex with volasertib · IBI A501 · binds ASN124, PHE134, ILE143, LYS145, PRO176, THR196, ARG197, ASN198 and 7 more

Residues it binds most

LEU 14, TYR 10, PHE 13, VAL 14, ASN 12, ILE 10, CYS 10, PRO 12, TRP 10, ARG 4 (residue and the binding sites it lines).

Found with

• EDO · 1,2-ethanediol
• ZN · Zinc ion
• CL · Chloride ion
• SO4 · Sulfate ion
• ACT · Acetate ion
• DMS · Dimethyl sulfoxide
• GOL · Glycerol
• PEG · Di(hydroxyethyl)ether