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Ligand · 80H

80H · ~{N}-[3-[[[2-(6-chloranyl-7-fluoranyl-1~{H}-benzimidazol-2-yl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]-~{N}-methyl-methanesulfonamide

80H, ~{N}-[3-[[[2-(6-chloranyl-7-fluoranyl-1~{H}-benzimidazol-2-yl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]-~{N}-methyl-methanesulfonamide (C19 H17 Cl F N7 O2 S, 461.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
80H
Formula
C19 H17 Cl F N7 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

80H in 2 structures; the first of them:

  • 7PQS · SRPK1 in complex with MSC2711186 · 80H A601 · binds LEU86, GLY87, TRP88, GLY89, VAL94, ALA107, PHE165, GLU166 and 12 more
  • 7PQS · SRPK1 in complex with MSC2711186 · 80H A601 · binds LEU86, GLY87, TRP88, GLY89, VAL94, ALA107, PHE165, GLU166 and 12 more

Residues it binds most

LEU 4, GLY 4, VAL 4, ALA 4, GLU 4, HIS 4, LYS 4, PHE 4, TRP 4, TYR 4 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • CL · Chloride ion
  • CIT · Citric acid
  • EDO · 1,2-ethanediol
  • GOL · Glycerol

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