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Ligand · BNH

BNH · [(N-{3-[(N-{cyclohexyl[(isobutoxycarbonyl)amino]acetyl}-3-cyclopropylalanyl)amino]-4-cyclopropyl-2-oxobutanoyl}glycyl)amino](phenyl)acetic acid

BNH, [(N-{3-[(N-{cyclohexyl[(isobutoxycarbonyl)amino]acetyl}-3-cyclopropylalanyl)amino]-4-cyclopropyl-2-oxobutanoyl}glycyl)amino](phenyl)acetic acid (C36 H51 N5 O9, 697.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
BNH
Formula
C36 H51 N5 O9
Class
ligand
Structures
2
PDB entries
1

Binding sites

BNH in 2 structures; the first of them:

  • 2A4R · HCV NS3 Protease Domain with a Ketoamide Inhibitor Covalently bound. · BNH A401 · binds THR40, GLN41, THR42, PHE43, VAL55, HIS57, ARG109, ARG123 and 13 more
  • 2A4R · HCV NS3 protease domain with a ketoamide inhibitor covalently bound. · BNH A401 · binds THR40, GLN41, THR42, PHE43, VAL55, HIS57, ARG109, ARG123 and 13 more

Residues it binds most

ARG 2, ALA 2, PHE 2, SER 2, THR 2, VAL 2, ASP 2, CYS 2, GLN 2, GLY 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion

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