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Ligand · C9W

C9W · 4-(3-cyano-3-methylazetidine-1-carbonyl)-N-[(3R,4S)-7-fluoro-4-hydroxy-6-methyl-3,4-dihydro-2H-1-benzopyran-3-yl]-5-methyl-1H-pyrrole-2-sulfonamide

C9W, 4-(3-cyano-3-methylazetidine-1-carbonyl)-N-[(3R,4S)-7-fluoro-4-hydroxy-6-methyl-3,4-dihydro-2H-1-benzopyran-3-yl]-5-methyl-1H-pyrrole-2-sulfonamide (C21 H23 F N4 O5 S, 462.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
C9W
Formula
C21 H23 F N4 O5 S
Class
ligand
Structures
2
PDB entries
2

Binding sites

C9W in 2 structures; the first of them:

  • 7SVC · NMR structure of ctnc-tni chimera bound to calcium and A2 · C9W A201 · binds PHE27, ILE36, LEU41, MET45, GLN50, MET60, ILE61, VAL64 and 9 more
  • 7SWI · Ctnc-tni chimera complexed with A2 · C9W A201 · binds PHE27, LEU41, GLN50, PRO52, GLU59, MET60, ILE61, VAL64 and 9 more

Residues it binds most

MET 2, VAL 2, ILE 2, PHE 2, ALA 2, ARG 2, GLN 2, LEU 2, LYS 2, GLU 1 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion

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