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Ligand · H40

H40 · ~{N}-[4-[2-bromanyl-6-(2-hydroxyethylamino)pyridin-4-yl]sulfanylphenyl]propanamide

H40, ~{N}-[4-[2-bromanyl-6-(2-hydroxyethylamino)pyridin-4-yl]sulfanylphenyl]propanamide (C16 H18 Br N3 O2 S, 396.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
H40
Formula
C16 H18 Br N3 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

H40 in 2 structures; the first of them:

  • 7R0N · KRasG12C in complex with GDP and compound 2 · H40 A1002 · binds VAL9, GLY10, ALA11, CYS12, GLY13, LYS16, PRO34, GLU37 and 13 more
  • 7R0N · KRASG12C in complex with GDP and compound 2 · H40 A1002 · binds VAL9, GLY10, ALA11, CYS12, GLY13, LYS16, PRO34, GLU37 and 13 more

Residues it binds most

GLU 2, GLY 2, ALA 2, GLN 2, TYR 2, ARG 2, ASP 2, CYS 2, LYS 2, MET 2 (residue and the binding sites it lines).

Found with

  • GDP · Guanosine-5'-diphosphate
  • MG · Magnesium ion

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