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Ligand · B8X

B8X · 2-[4-[4-propyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol

B8X, 2-[4-[4-propyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol (C25 H27 N O3 S, 421.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
B8X
Formula
C25 H27 N O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

B8X in 2 structures; the first of them:

  • 6J81 · Crystal structure of CERT START domain in complex with compound E14 · B8X A600 · binds PHE436, ARG442, TRP445, GLU446, THR448, ILE449, GLN467, HIS469 and 13 more
  • 6J81 · Crystal structure of cert start domain in complex with compound E14 · B8X A600 · binds PHE436, GLU446, THR448, GLN467, HIS469, ARG478, TYR482, ASN504 and 7 more

Residues it binds most

TYR 2, VAL 2, GLU 2, ARG 2, ILE 2, ALA 1, ASN 2, GLN 2, HIS 2, PHE 2 (residue and the binding sites it lines).

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