K3W · 3-[5-[(4~{a}~{R},8~{a}~{S})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(3-methoxyphenyl)prop-2-ynamide

Binding sites

K3W in 2 structures; the first of them:

• 6RFN · Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1018 · K3W A1009 · binds TYR668, HIS669, THR783, MET785, ASP822, ILE823, ASN825, TRP836 and 9 more
• 6RFN · Crystal structure of T. brucei pde-B1 catalytic domain with inhibitor npd-1018 · K3W A1009 · binds MET785, ASP822, ILE823, ASN825, ALA837, VAL840, MET861, GLY873 and 2 more

Residues it binds most

PHE 4, MET 4, GLY 4, ASN 4, ASP 4, GLN 4, ILE 4, THR 3, VAL 4, ALA 3 (residue and the binding sites it lines).

Found with

• GAI · Guanidine
• MG · Magnesium ion
• ZN · Zinc ion
• FMT · Formic acid
• GOL · Glycerol