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Ligand · K1Q

K1Q · 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}-[2-(2-fluorophenyl)ethyl]prop-2-ynamide

K1Q, 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}-[2-(2-fluorophenyl)ethyl]prop-2-ynamide (C29 H30 F N3 O3, 487.6 g/mol), in the MolNFT structures on GenesisL1…

Component
K1Q
Formula
C29 H30 F N3 O3
Class
ligand
Structures
1
PDB entries
1

Binding sites

K1Q in 1 structure; the first of them:

  • 6RFW · Crystal structure of T. brucei pde-B1 catalytic domain with inhibitor npd-1039 · K1Q A1007 · binds MET785, ASP822, ILE823, ASN825, ALA837, VAL840, PHE844, MET861 and 4 more

Residues it binds most

MET 2, PHE 2, GLY 2, ASN 2, ASP 2, GLN 2, ILE 2, VAL 2, ALA 1, THR 1 (residue and the binding sites it lines).

Found with

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

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