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Ligand · BMB

BMB · (3S,6S,7R,9aS)-7-[2-(benzylamino)ethyl]-N-(diphenylmethyl)-6-{[(2S)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide

BMB, (3S,6S,7R,9aS)-7-[2-(benzylamino)ethyl]-N-(diphenylmethyl)-6-{[(2S)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide (C37 H47 N5 O3, 609.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
BMB
Formula
C37 H47 N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

BMB in 2 structures; the first of them:

  • 3OZ1 · cIAP1-BIR3 domain in complex with the Smac-mimetic compound Smac066 · BMB A600 · binds ARG294, ASP297, VAL298, LYS299, GLY306, LEU307, ARG308, CYS309 and 6 more
  • 3OZ1 · CIAP1-BIR3 domain in complex with the smac-mimetic compound SMAC066 · BMB A600 · binds ARG294, ASP297, VAL298, LYS299, GLY306, LEU307, ARG308, CYS309 and 6 more

Residues it binds most

ASP 8, GLU 8, LEU 8, TRP 8, ARG 8, CYS 8, GLY 8, LYS 8, VAL 6 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion

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