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Ligand · JHF

JHF · (6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]-1-(3-fluoranyl-4-methoxy-phenyl)piperidin-2-one

JHF, (6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]-1-(3-fluoranyl-4-methoxy-phenyl)piperidin-2-one (C29 H32 F N5 O5 S, 581.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
JHF
Formula
C29 H32 F N5 O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

JHF in 2 structures; the first of them:

  • 7XHE · Crystal structure of CBP bromodomain liganded with CCS151 · JHF A1201 · binds PRO1106, LEU1109, PRO1110, PHE1111, GLN1113, VAL1115, LEU1119, LEU1120 and 8 more
  • 7XHE · Crystal structure of cbp bromodomain liganded with CCS151 · JHF A1201 · binds PRO1106, LEU1109, PRO1110, PHE1111, GLN1113, VAL1115, LEU1119, LEU1120 and 8 more

Residues it binds most

LEU 4, PHE 4, PRO 4, TYR 4, VAL 4, ALA 4, ARG 4, ASN 4, GLN 4, ILE 4 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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