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Ligand · XI1

XI1 · N-[4-(3-chloranyl-4-cyano-phenoxy)cyclohexyl]-1,1,1-tris(fluoranyl)methanesulfonamide

XI1, N-[4-(3-chloranyl-4-cyano-phenoxy)cyclohexyl]-1,1,1-tris(fluoranyl)methanesulfonamide (C14 H14 Cl F3 N2 O3 S, 382.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
XI1
Formula
C14 H14 Cl F3 N2 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

XI1 in 2 structures; the first of them:

  • 5A5I · Cytochrome 2C9 P450 inhibitor complex · XI1 A1493 · binds ARG108, VAL113, PHE114, LEU201, ASN204, ILE205, LEU208, LEU233 and 9 more
  • 5A5I · Cytochrome 2C9 P450 inhibitor complex · XI1 A1493 · binds ARG108, VAL113, PHE114, LEU201, ASN204, ILE205, LEU208, LEU233 and 9 more

Residues it binds most

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

Found with

  • HEM · Protoporphyrin IX containing Fe

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