HRE · 4-[(4~{S})-5-(5-chloranyl-2-oxidanylidene-1~{H}-pyridin-3-yl)-2-[2-(dimethylamino)-4-methoxy-pyrimidin-5-yl]-6-oxidanylidene-3-propan-2-yl-4~{H}-pyrrolo[3,4-c]pyrazol-4-yl]benzenecarbonitrile

Binding sites

HRE in 4 structures; the first of them:

• 6Q96 · HDM2 (17-111, WILD TYPE) COMPLEXED WITH COMPOUND 12 AT 1.8A; Structural states of Hdm2… · HRE A201 · binds LEU54, LEU57, GLY58, ILE61, MET62, TYR67, GLN72, VAL75 and 13 more
• 6Q9U · HDMX (14-111; C17S) COMPLEXED WITH COMPOUND 12 AT 2.4A; Structural states of Hdm2 and… · HRE A201 · binds MET54, LEU57, GLY58, ILE61, MET62, TYR67, GLN72, VAL75 and 5 more
• 6Q96 · HDM2 (17-111, wild type) complexed with compound 12 at 1.8A; structural states of HDM2… · HRE A201 · binds LEU54, LEU57, GLY58, ILE61, MET62, TYR67, GLN72, PHE86 and 9 more
• 6Q9U · Hdmx (14-111; C17S) complexed with compound 12 at 2.4A; structural states of HDM2 and… · HRE A201 · binds MET54, LEU57, GLY58, ILE61, MET62, TYR67, GLN72, VAL75 and 5 more

Residues it binds most

TYR 6, LEU 6, ILE 6, PHE 6, MET 6, VAL 6, GLN 6, GLY 6, HIS 4, GLU 2 (residue and the binding sites it lines).

Found with

• O4B · 1,4,7,10,13,16-hexaoxacyclooctadecane
• CL · Chloride ion
• SO4 · Sulfate ion