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Ligand · 9ML

9ML · 2-[4-[4-pentyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol

9ML, 2-[4-[4-pentyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol (C27 H31 N O3 S, 449.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues…

Component
9ML
Formula
C27 H31 N O3 S
Class
ligand
Structures
2
PDB entries
2

Binding sites

9ML in 2 structures; the first of them:

  • 5ZYI · Crystal structure of cert start domain in complex with compound E16 · 9ML A600 · binds PHE436, GLU446, THR448, GLN467, HIS469, VAL472, ALA475, ARG478 and 10 more
  • 5ZYJ · Crystal structure of cert start domain in complex with compound E16A · 9ML A600 · binds PHE436, GLU446, THR448, GLN467, HIS469, VAL472, ALA475, ARG478 and 10 more

Residues it binds most

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

Found with

  • GOL · Glycerol

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