Ligand · BBQ
BBQ · Cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(4R)-8-hydroxy-1,6,10-trioxa-5$L^{4}-boraspiro[4.5]decan-4-yl]carbamoyl]-4-isoquinolin-1-yloxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxo-butan-2-yl]carbamate
BBQ, Cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(4R)-8-hydroxy-1,6,10-trioxa-5$L^{4}-boraspiro[4.5]decan-4-yl]carbamoyl]-4-isoquinolin-1-yloxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxo-butan-2-yl]carbamate (C32 H44 B N4 O9, 639.5 g/mol), in the MolNFT…
- Component
- BBQ
- Formula
- C32 H44 B N4 O9
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
BBQ in 2 structures; the first of them:
- 2XCF · Crystal structure of HCV NS3 protease with a boronate inhibitor · BBQ A1182 · binds GLN41, THR42, PHE43, HIS57, ASP79, ASP81, ARG123, ILE132 and 12 more
- 2XCF · Crystal structure of HCV NS3 protease with a boronate inhibitor · BBQ A1182 · binds GLN41, THR42, PHE43, HIS57, ASP79, ASP81, ARG123, ILE132 and 12 more
Residues it binds most
ALA 2, ASP 2, ARG 2, PHE 2, CYS 2, GLN 2, GLY 2, HIS 2, ILE 2, LEU 2 (residue and the binding sites it lines).
Found with
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