Ligand · 3W4
3W4 · N-[(3R)-1,1-dioxidotetrahydro-2H-thiopyran-3-yl]-4-(4-{[(3S)-3-hydroxy-1-azabicyclo[2.2.2]oct-3-yl]ethynyl}phenoxy)benzamide
3W4, N-[(3R)-1,1-dioxidotetrahydro-2H-thiopyran-3-yl]-4-(4-{[(3S)-3-hydroxy-1-azabicyclo[2.2.2]oct-3-yl]ethynyl}phenoxy)benzamide (C27 H30 N2 O5 S, 494.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…
- Component
- 3W4
- Formula
- C27 H30 N2 O5 S
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
3W4 in 2 structures; the first of them:
- 4A7B · MMP13 in complex with a novel selective non zinc binding inhibitor CMPD22 · 3W4 B1000 · binds GLY183, LEU184, LEU185, ALA186, LEU218, VAL219, HIS222, GLU223 and 11 more
- 4A7B · MMP13 in complex with a novel selective non zinc binding inhibitor CMPD22 · 3W4 B1000 · binds GLY183, LEU184, LEU185, ALA186, LEU218, VAL219, HIS222, GLU223 and 11 more
Residues it binds most
LEU 2, ALA 2, GLY 2, PHE 2, PRO 2, THR 2, GLU 2, HIS 2, ILE 2, TYR 2 (residue and the binding sites it lines).
Found with
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