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Ligand · 69F

69F · (4R)-6-[3-(benzyloxy)phenyl]-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one

69F, (4R)-6-[3-(benzyloxy)phenyl]-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one (C23 H22 N2 O2, 358.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component
69F
Formula
C23 H22 N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

69F in 2 structures; the first of them:

  • 5I8B · CBP in complex with Cpd23 ((R)-6-(3-(benzyloxy)phenyl)-4-methyl-1,3,4,5-tetrahydro-2H-benz… · 69F A1404 · binds PRO1106, LEU1109, PRO1110, PHE1111, GLN1113, VAL1115, LEU1120, ILE1122 and 7 more
  • 5I8B · Cbp in complex with CPD23 ((R)-6-(3-(BENZYLOXY)PHENYL)-4-methyl-1,3,4… · 69F A1404 · binds PRO1106, LEU1109, PRO1110, PHE1111, GLN1113, VAL1115, LEU1120, ILE1122 and 7 more

Residues it binds most

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

Found with

  • NA · Sodium ion
  • ZN · Zinc ion
  • B3P · 2-[3-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-propylamino]-2-hydroxymethyl-propane-1,3-diol
  • EDO · 1,2-ethanediol
  • PEG · Di(hydroxyethyl)ether

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