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Ligand · PBH

PBH · (11aS)-7-methoxy-8-(3-{4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenoxy}propoxy)-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one

PBH, (11aS)-7-methoxy-8-(3-{4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenoxy}propoxy)-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one (C34 H40 N6 O4, 596.7 g/mol), in the MolNFT structures on GenesisL1: bound…

Component
PBH
Formula
C34 H40 N6 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

PBH in 2 structures; the first of them:

  • 2KTT · Solution Structure of a Covalently Bound Pyrrolo[2,1-c][1,4]benzodiazepine-Benzimidazole… · PBH A22 · binds DA4, DA5, DT6, DT7, DG8, DT9, DT10, DC13 and 6 more
  • 2KTT · Solution structure of a covalently bound PYRROLO[2,1-C][1, 4]BENZODIAZEPINE-benzimidazole… · PBH A22 · binds DA4, DA5, DT6, DT7, DG8, DT9, DT10, DC13 and 6 more

Residues it binds most

DT 2, DA 2, DG 2, DC 2 (residue and the binding sites it lines).

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