Ligand · 14Q
14Q · 5-{3-[3-(1,3-benzodioxol-5-yl)-5-methoxyphenyl]prop-1-yn-1-yl}-6-ethylpyrimidine-2,4-diamine
14Q, 5-{3-[3-(1,3-benzodioxol-5-yl)-5-methoxyphenyl]prop-1-yn-1-yl}-6-ethylpyrimidine-2,4-diamine (C23 H22 N4 O3, 402.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues…
- Component
- 14Q
- Formula
- C23 H22 N4 O3
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
14Q in 4 structures; the first of them:
- 4H96 · Candida albicans dihydrofolate reductase complexed with NADPH and… · 14Q A202 · binds ILE9, VAL10, ALA11, MET25, GLU32, ILE33, PHE36, THR58 and 7 more
- 4H98 · Candida glabrata dihydrofolate reductase complexed with NADPH and… · 14Q A302 · binds ILE9, VAL10, ALA11, GLY23, ASN24, LEU25, GLU32, MET33 and 10 more
- 4H96 · Candida albicans dihydrofolate reductase complexed with NADPH and 5… · 14Q A202 · binds ILE9, VAL10, ALA11, MET25, GLU32, ILE33, PHE36, THR58 and 7 more
- 4H98 · Candida glabrata dihydrofolate reductase complexed with NADPH and 5… · 14Q A302 · binds ILE9, VAL10, ALA11, GLY23, ASN24, LEU25, GLU32, MET33 and 10 more
Residues it binds most
ILE 8, THR 8, PHE 8, LEU 8, ALA 8, GLU 8, MET 8, SER 8, TYR 8, VAL 8 (residue and the binding sites it lines).
Found with
- NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
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