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Ligand · VCI

VCI · ~{N}-[4-[2,6-bis(azanyl)-5-(2-cyclopropylethynyl)pyrimidin-4-yl]phenyl]methanesulfonamide

VCI, ~{N}-[4-[2,6-bis(azanyl)-5-(2-cyclopropylethynyl)pyrimidin-4-yl]phenyl]methanesulfonamide (C16 H17 N5 O2 S, 343.4 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues…

Component
VCI
Formula
C16 H17 N5 O2 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

VCI in 1 structure; the first of them:

  • 8COP · Mycobacterium tuberculosis dihydrofolate reductase in complex with… · VCI A204 · binds ILE5, TRP6, ALA7, ILE20, ARG23, ASP27, GLN28, PHE31 and 5 more

Residues it binds most

ILE 2, LEU 2, THR 2, TRP 2, ALA 2, ARG 2, ASP 2, GLN 2, PHE 2, TYR 2 (residue and the binding sites it lines).

Found with

  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
  • CO · Cobalt (II) ion
  • PO4 · Phosphate ion

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