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Ligand · V5Q

V5Q · ~{N}-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)ethyl]phenyl]-1,2,3,4-tetrazol-5-yl]-4,5-dimethoxy-phenyl]-4-oxidanylidene-2,3-dihydrochromene-2-carboxamide

V5Q, ~{N}-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)ethyl]phenyl]-1,2,3,4-tetrazol-5-yl]-4,5-dimethoxy-phenyl]-4-oxidanylidene-2,3-dihydrochromene-2-carboxamide (C38 H38 N6 O7, 690.8 g/mol), in the MolNFT structures on…

Component
V5Q
Formula
C38 H38 N6 O7
Class
ligand
Structures
2
PDB entries
1

Binding sites

V5Q in 2 structures; the first of them:

  • 7O9W · Encequidar-bound human P-glycoprotein in complex with UIC2-Fab · V5Q A1401 · binds LEU65, MET68, MET69, PHE72, PHE303, TYR307, PHE336, GLN725 and 12 more
  • 7O9W · Encequidar-bound human P-glycoprotein in complex with UIC2-Fab · V5Q A1401 · binds LEU65, MET69, PHE72, TYR307, PHE336, GLN725, PHE728, PHE732 and 9 more

Residues it binds most

PHE 4, GLN 4, TYR 4, MET 3, LEU 4, GLU 4, SER 3, ILE 2, TRP 2, VAL 2 (residue and the binding sites it lines).

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