Ligand · 3XB
3XB · 6-{[(3R,4R)-4-(2-{[2,2-difluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
3XB, 6-{[(3R,4R)-4-(2-{[2,2-difluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine (C21 H27 F3 N4 O, 408.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every…
- Component
- 3XB
- Formula
- C21 H27 F3 N4 O
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
3XB in 4 structures; the first of them:
- 3NLU · Structure of endothelial nitric oxide synthase heme domain complexed with… · 3XB A800 · binds VAL106, LEU107, ARG185, GLN249, PRO336, VAL338, PHE355, SER356 and 7 more
- 3NLX · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · 3XB A800 · binds MET336, LEU337, ARG414, GLN478, PRO565, ALA566, VAL567, PHE584 and 8 more
- 3NLU · Structure of endothelial nitric oxide synthase heme domain complexed with… · 3XB A800 · binds VAL106, LEU107, ARG185, GLN249, PRO336, VAL338, PHE355, SER356 and 7 more
- 3NLX · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · 3XB A800 · binds MET336, LEU337, ARG414, GLN478, PRO565, ALA566, VAL567, PHE584 and 8 more
Residues it binds most
TRP 8, TYR 8, VAL 8, ARG 8, GLN 8, GLU 8, GLY 8, LEU 8, PHE 8, PRO 8 (residue and the binding sites it lines).
Found with
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