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Ligand · BQ6

BQ6 · 4-(3-cyano-3-methylazetidine-1-carbonyl)-N-[(3S)-7-fluoro-6-methyl-3,4-dihydro-2H-1-benzopyran-3-yl]-5-methyl-1H-pyrrole-2-sulfonamide

BQ6, 4-(3-cyano-3-methylazetidine-1-carbonyl)-N-[(3S)-7-fluoro-6-methyl-3,4-dihydro-2H-1-benzopyran-3-yl]-5-methyl-1H-pyrrole-2-sulfonamide (C21 H23 F N4 O4 S, 446.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB…

Component
BQ6
Formula
C21 H23 F N4 O4 S
Class
ligand
Structures
2
PDB entries
2

Binding sites

BQ6 in 2 structures; the first of them:

  • 7SUP · NMR structure of ctnc-tni chimera bound to calcium and A1 · BQ6 A201 · binds PHE27, ILE36, LEU41, GLN50, GLU56, MET60, ILE61, VAL64 and 9 more
  • 7SWG · Ctnc-tni chimera complexed with A1 · BQ6 A201 · binds PHE27, ILE36, LEU41, GLN50, PRO52, GLU56, MET60, ILE61 and 9 more

Residues it binds most

ILE 2, VAL 2, MET 2, PHE 2, ARG 2, CYS 2, GLN 2, GLU 2, LEU 2, LYS 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion

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