Ligand · 3W5
3W5 · N-[(3S)-1,1-dioxidotetrahydro-2H-thiopyran-3-yl]-4-(4-{[(3S)-3-hydroxy-1-azabicyclo[2.2.2]oct-3-yl]ethynyl}phenoxy)benzamide
3W5, N-[(3S)-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
- 3W5
- Formula
- C27 H30 N2 O5 S
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
3W5 in 2 structures; the first of them:
- 4A7B · MMP13 in complex with a novel selective non zinc binding inhibitor CMPD22 · 3W5 A1000 · binds GLY183, LEU184, LEU185, ALA186, LEU218, VAL219, HIS222, GLU223 and 12 more
- 4A7B · MMP13 in complex with a novel selective non zinc binding inhibitor CMPD22 · 3W5 A1000 · binds GLY183, LEU184, LEU185, ALA186, LEU218, VAL219, HIS222, GLU223 and 12 more
Residues it binds most
LEU 2, PRO 2, ALA 2, GLY 2, PHE 2, THR 2, GLU 2, HIS 2, ILE 2, TYR 2 (residue and the binding sites it lines).
Found with
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