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Ligand · S4Z

S4Z · 2-(1-((5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxamido)methyl)-2-azabicyclo[2.1.1]hexan-2-yl)-N-methyl-4-(trifluoromethyl)thiazole-5-carboxamide

S4Z, 2-(1-((5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxamido)methyl)-2-azabicyclo[2.1.1]hexan-2-yl)-N-methyl-4-(trifluoromethyl)thiazole-5-carboxamide (C20 H18 Cl F3 N6 O2 S, 498.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
S4Z
Formula
C20 H18 Cl F3 N6 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

S4Z in 2 structures; the first of them:

  • 7AW3 · MerTK kinase domain with type 1 inhibitor from a DNA-encoded library · S4Z A901 · binds LEU593, GLY594, VAL601, ALA617, ILE650, LEU671, PRO672, PHE673 and 8 more
  • 7AW3 · Mertk kinase domain with type 1 inhibitor from a DNA-encoded library · S4Z A901 · binds LEU593, GLY594, VAL601, ALA617, ILE650, LEU671, PRO672, PHE673 and 7 more

Residues it binds most

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

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