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Ligand · 69E

69E · (4R)-4-methyl-6-[1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one

69E, (4R)-4-methyl-6-[1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one (C22 H22 N6 O, 386.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
69E
Formula
C22 H22 N6 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

69E in 2 structures; the first of them:

  • 5I8G · CBP in complex with Cpd637 ((R)-4-methyl-6-(1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indaz… · 69E A1404 · binds LEU1109, PRO1110, PHE1111, GLN1113, VAL1115, LEU1120, ILE1122, TYR1125 and 6 more
  • 5I8G · Cbp in complex with CPD637 ((R)-4-methyl-6-(1-methyl-3-(1-methyl-1H… · 69E A1404 · binds LEU1109, PRO1110, PHE1111, GLN1113, VAL1115, LEU1120, ILE1122, TYR1125 and 6 more

Residues it binds most

LEU 2, PHE 2, TYR 2, VAL 2, ALA 2, ARG 2, ASN 2, GLN 2, ILE 2, PRO 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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