Ligand · 4VX

4VX · 5-[[(2R)-7-bromanyl-2-phenyl-2,3-dihydrothieno[3,2-b]indol-4-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide

4VX, 5-[[(2R)-7-bromanyl-2-phenyl-2,3-dihydrothieno[3,2-b]indol-4-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide (C22 H17 Br N2 O2 S2, 485.4 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site…

Component: 4VX
Formula: C22 H17 Br N2 O2 S2
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

4VX in 1 structure; the first of them:

7P2T · Tetartohedrally twinned crystal structure of schistosoma mansoni HDAC8 in complex with a… · 4VX A504 · binds LYS20, ASP100, GLY150, ASP186, HIS188, ASP285, GLY339, LEU47 and 2 more

Residues it binds most

ASP 3, GLY 4, HIS 4, LYS 4, PHE 3, GLN 2, LEU 1, TRP 1, TYR 1 (residue and the binding sites it lines).

Found with

K · Potassium ion
ZN · Zinc ion
CL · Chloride ion
144 · Tris-hydroxymethyl-methyl-ammonium

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