Ligand · S5E
S5E · 3-methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-N-((R)-1-(((R)-3-(methylamino)-3-oxo-1-(4-(trifluoromethyl) phenyl)propyl)amino)-1-oxo-4-phenylbutan-2-yl) isoxazole-4-carboxamide
S5E, 3-methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-N-((R)-1-(((R)-3-(methylamino)-3-oxo-1-(4-(trifluoromethyl) phenyl)propyl)amino)-1-oxo-4-phenylbutan-2-yl) isoxazole-4-carboxamide (C29 H29 F3 N6 O4 S, 614.6 g/mol), in the MolNFT structures…
- Component
- S5E
- Formula
- C29 H29 F3 N6 O4 S
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
S5E in 2 structures; the first of them:
- 7AW4 · MerTK kinase domain with type 3 inhibitor from a DNA-encoded library · S5E A901 · binds LYS619, MET621, LEU623, GLU630, GLU633, PHE634, GLU637, ALA638 and 14 more
- 7AW4 · Mertk kinase domain with type 3 inhibitor from a DNA-encoded library · S5E A901 · binds LYS619, MET621, LEU623, GLU630, GLU633, PHE634, GLU637, ALA638 and 14 more
Residues it binds most
LEU 4, GLU 4, VAL 4, ALA 4, MET 4, PHE 4, ARG 4, ASP 4, HIS 4, ILE 4 (residue and the binding sites it lines).
Found with
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