VYJ · 11-cyclopentyl-2-({2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one

Binding sites

VYJ in 9 structures; the first of them:

• 7K6G · Crystal structure of the first bromodomain (BD1) of human BRD4 bound to ERK5-IN-1 · VYJ A201 · binds TRP81, LEU92, TYR139, ASN140, ASP144
• 7L73 · Crystal structure of the first bromodomain (BD1) of human BRDT bound to ERK5-IN-1 · VYJ A201 · binds TRP50, PRO51, PHE52, VAL56, LYS60, LEU61, LEU63, ASN109 and 2 more
• 7LAU · Crystal structure of the first bromodomain (BD1) of human BRD2 bound to ERK5-IN-1 · VYJ A201 · binds TRP97, PRO98, PHE99, GLN101, VAL103, LEU108, LEU110, ASN156 and 1 more
• 7K6G · Crystal structure of the first bromodomain (BD1) of human BRD4 bound to ERK5-in-1 · VYJ A201 · binds TRP81, LEU92, TYR139, ASN140, ASP144
• 7L73 · Crystal structure of the first bromodomain (BD1) of human brdt bound to ERK5-in-1 · VYJ A201 · binds TRP50, PRO51, PHE52, VAL56, LYS60, LEU61, LEU63, ASN109 and 2 more
• 7LAU · Crystal structure of the first bromodomain (BD1) of human BRD2 bound to ERK5-in-1 · VYJ A201 · binds TRP97, PRO98, PHE99, GLN101, VAL103, LEU108, LEU110, ASN156 and 1 more
• 7LAZ · Crystal structure of the first bromodomain (BD1) of human BRD3 bound to ERK5-in-1 · VYJ A201 · binds TRP57, PRO58, PHE59, GLN61, VAL63, LYS67, LEU68, LEU70 and 3 more
• 7LBT · Crystal structure of the second bromodomain (BD2) of human BRD3 bound to ERK5-in-1 · VYJ A501 · binds TRP332, PRO333, PHE334, VAL338, LEU343, LEU345, CYS387, TYR390 and 2 more
• 7LEK · Crystal structure of the second bromodomain (BD2) of human brdt bound to ERK5-in-1 · VYJ A401 · binds TRP293, PRO294, PHE295, VAL299, LEU304, LEU306, CYS348, TYR351 and 8 more

Residues it binds most

LEU 24, VAL 18, TRP 22, ASN 22, PHE 22, PRO 18, TYR 16, GLN 12, ILE 12, CYS 8 (residue and the binding sites it lines).

Found with

• EDO · 1,2-ethanediol
• CL · Chloride ion