Ligand · 9QO
9QO · 5-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl) oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine
9QO, 5-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl) oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine (C21 H28 N8 O2, 424.5 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every binding site with its…
- Component
- 9QO
- Formula
- C21 H28 N8 O2
- Class
- ligand
- Structures
- 3
- PDB entries
- 3
Binding sites
9QO in 3 structures; the first of them:
- 6A2K · Crystal structure of wild type plasmodium falciparum DHFR-ts complexed with BT1, NADPH… · 9QO A701 · binds ILE14, CYS15, ALA16, LEU46, ASP54, MET55, PHE58, SER111 and 5 more
- 6A2L · Crystal structure of quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum… · 9QO A701 · binds ILE14, CYS15, ALA16, LEU46, ASP54, MET55, PHE58, ASN108 and 8 more
- 6A7C · Human dihydrofolate reductase complexed with NADPH and BT1 · 9QO A202 · binds ILE7, VAL8, ALA9, ASP21, LEU22, GLU30, PHE31, PHE34 and 6 more
Residues it binds most
ILE 5, PHE 5, LEU 5, ALA 5, ASP 5, SER 5, THR 5, TYR 5, CYS 4, MET 4 (residue and the binding sites it lines).
Found with
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