R78 · 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide

Binding sites

R78 in 12 structures; the first of them:

• 6MF9 · Crystal structure of CGD4-650 with compound BI2536 · R78 A3000 · binds VAL1871, VAL1876, ILE1880, ALA1881, TYR1926, ASN1927, LEU1933
• 7L9G · Crystal structure of the second bromodomain (BD2) of human BRD2 bound to BI2536 · R78 A503 · binds TRP370, PRO371, PHE372, VAL376, LEU381, LEU383, TYR386, CYS425 and 4 more
• 5TCM · First bromodomain from leishmania donovani LDBPK.091320 complexed with bi-2536 · R78 A201 · binds HIS23, HIS24, ILE25, VAL30, THR33, TYR34, LEU37, CYS83 and 3 more
• 5VBQ · Crystal structure of the first bromodomain of human brdt in complex with BI2536 · R78 A201 · binds TRP50, PRO51, PHE52, VAL56, LYS60, LEU61, GLN62, LEU63 and 5 more
• 6BQQ · Crystal structure of the human CAMKK2B in complex with BI2526 · R78 A501 · binds GLU170, ILE171, GLY172, VAL179, ALA192, VAL249, PHE267, GLU268 and 5 more
• 6CW0 · Crystal structure of cryptosporidium parvum bromodomain CGD2_2690 · R78 A201 · binds ALA25, VAL30, LEU35, LEU37, TYR40, CYS79, TYR82, ASN83 and 1 more
• 6MF9 · Crystal structure of CGD4-650 with compound BI2536 · R78 A3000 · binds VAL1871, VAL1876, ILE1880, ALA1881, TYR1926, ASN1927, LEU1933
• 7K0U · Crystal structure of the second bromodomain (BD2) of human TAF1 bound to PLK1 kinase… · R78 A1701 · binds TRP1526, PRO1527, PHE1528, VAL1532, TYR1582, ASN1583, TYR1589
• 7L9G · Crystal structure of the second bromodomain (BD2) of human BRD2 bound to BI2536 · R78 A503 · binds TRP370, PRO371, PHE372, VAL376, LEU381, LEU383, TYR386, CYS425 and 4 more
• 7L9L · Crystal structure of the second bromodomain (BD2) of human BRD3 bound to BI2536 · R78 A501 · binds TRP332, PRO333, PHE334, VAL338, LEU343, LEU345, TYR348, CYS387 and 4 more
• 7LAI · Crystal structure of the first bromodomain (BD1) of human BRD2 bound to BI2536 · R78 A201 · binds TRP97, PRO98, VAL103, LEU108, LEU110, TYR113, TYR155, ASN156 and 1 more
• 7N7M · Crystal structure of PI5P4KIIALPHA complex with bi-2536 · R78 A501 · binds ASN124, PHE134, ILE143, LYS145, PRO176, THR196, ARG197, ASN198 and 5 more

Residues it binds most

TYR 17, VAL 20, LEU 17, ASN 19, PHE 13, ILE 12, CYS 10, PRO 9, HIS 6, TRP 8 (residue and the binding sites it lines).

Found with

• EDO · 1,2-ethanediol
• CL · Chloride ion
• SO4 · Sulfate ion
• UNX · Unknown atom or ion
• ACT · Acetate ion
• GOL · Glycerol