Ligand · BCQ
BCQ · N-[(1R)-1-[({[(5S)-3,5-dimethyl-2,5-dihydroisoxazol-4-yl]methyl}sulfonyl)methyl]-2-oxo-2-({(1S)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}amino)ethyl]morpholine-4-carboxamide
BCQ, N-[(1R)-1-[({[(5S)-3,5-dimethyl-2,5-dihydroisoxazol-4-yl]methyl}sulfonyl)methyl]-2-oxo-2-({(1S)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}amino)ethyl]morpholine-4-carboxamide (C31 H42 N4 O8 S2, 662.8 g/mol), in the MolNFT structures…
- Component
- BCQ
- Formula
- C31 H42 N4 O8 S2
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
BCQ in 2 structures; the first of them:
- 2FYE · Mutant Human Cathepsin S with irreversible inhibitor CRA-14013 · BCQ A281 · binds GLN19, GLY23, CYS25, TRP26, GLY59, LYS61, CYS63, ASN64 and 13 more
- 2FYE · Mutant human cathepsin S with irreversible inhibitor cra-14013 · BCQ A281 · binds GLN19, GLY23, CYS25, TRP26, GLY59, LYS61, CYS63, ASN64 and 13 more
Residues it binds most
GLY 2, PHE 2, ASN 2, CYS 2, TRP 2, ALA 2, GLN 2, HIS 2, LYS 2, MET 2 (residue and the binding sites it lines).
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