Ligand · AQV

AQV · 2-{2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]ethyl}-1H-isoindole-1,3(2H)-dione

AQV, 2-{2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]ethyl}-1H-isoindole-1,3(2H)-dione (C22 H22 N2 O3, 362.4 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every binding site with its…

Component: AQV
Formula: C22 H22 N2 O3
Class: ligand
Structures: 3
PDB entries: 3

Binding sites

AQV in 3 structures; the first of them:

5WJ9 · Human TRPML1 channel structure in agonist-bound open conformation · AQV A900 · binds CYS429, VAL432, ALA433, TYR436, SER461, PHE465, ILE468, PHE513 and 3 more
6E7Z · Cryo-EM structure of human TRPML1 with ml-SA1 and PI35P2 · AQV A802 · binds CYS429, ALA433, TYR436, PHE465, ILE468, PHE513, TYR507
7SQ6 · Cryo-EM structure of mouse agonist ml-SA1-bound TRPML1 channel at 2.32 ångström resolution · AQV A601 · binds CYS429, VAL432, ALA433, TYR436, SER461, PHE465, ILE468, PHE505 and 4 more

Residues it binds most

TYR 12, PHE 12, ALA 12, CYS 12, ILE 12, SER 8, VAL 8, LEU 4 (residue and the binding sites it lines).

Found with

HZ7 · (1R,2S,3S,4R,5S,6R)-5-{[(R)-[(2R)-2,3-bis{[(1s)-1-hydroxyoctyl]oxy}propoxy](hydroxy)phosphoryl]oxy}-2,4, 6-trihydroxycyclohexane-1,3-diyl bis[dihydrogen (phosphate)]
NA · Sodium ion
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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