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Ligand · 69B

69B · (4R)-6-(3-cyclopropyl-1-methyl-1H-indazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one

69B, (4R)-6-(3-cyclopropyl-1-methyl-1H-indazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one (C21 H22 N4 O, 346.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
69B
Formula
C21 H22 N4 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

69B in 2 structures; the first of them:

  • 5I89 · Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepi G02857790 · 69B A1203 · binds LEU1109, PRO1110, PHE1111, GLN1113, VAL1115, LEU1120, ILE1122, TYR1125 and 6 more
  • 5I89 · Crystal structure of the bromodomain of human crebbp bound to the benzodiazepinone… · 69B A1203 · 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

  • CA · Calcium ion
  • ACT · Acetate ion

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