Ligand · 4K5

4K5 · (4-{[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-2-fluoro-5-methoxyphenyl)(morpholin-4-yl)methanone

4K5, (4-{[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-2-fluoro-5-methoxyphenyl)(morpholin-4-yl)methanone (C20 H21 F4 N5 O3, 455.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component: 4K5
Formula: C20 H21 F4 N5 O3
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

4K5 in 2 structures; the first of them:

4YZN · Humanized Roco4 bound to Compound 19 · 4K5 A1301 · binds GLN1031, ILE1032, GLY1033, LYS1034, VAL1040, ALA1053, LYS1055, VAL1091 and 10 more
4YZN · Humanized ROCO4 bound to compound 19 · 4K5 A1301 · binds GLN1031, ILE1032, GLY1033, LYS1034, VAL1040, ALA1053, LYS1055, VAL1091 and 10 more

Residues it binds most

VAL 2, ALA 2, ASP 2, GLY 2, LEU 2, LYS 2, GLN 2, GLU 2, ILE 2, MET 2 (residue and the binding sites it lines).

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