Ligand · YK1

YK1 · 4-[2-fluoro-6-(trifluoromethyl)anilino]-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl) amino]pyrimidine-5-carboxamide

YK1, 4-[2-fluoro-6-(trifluoromethyl)anilino]-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl) amino]pyrimidine-5-carboxamide (C23 H22 F4 N6 O2, 490.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component: YK1
Formula: C23 H22 F4 N6 O2
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

YK1 in 2 structures; the first of them:

7M0M · HPK1 in complex with compound 1 · YK1 A301 · binds LEU23, GLY24, GLY25, GLY26, VAL31, ALA44, VAL75, MET91 and 11 more
7M0M · HPK1 in complex with compound 1 · YK1 A301 · binds LEU23, GLY24, GLY25, GLY26, VAL31, ALA44, MET91, GLU92 and 10 more

Residues it binds most

GLY 4, ALA 4, ASP 4, LEU 4, VAL 4, ASN 4, CYS 4, GLU 4, MET 4, PHE 4 (residue and the binding sites it lines).

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