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Ligand · 1BG

1BG · (3S,8aR)-2-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide

1BG, (3S,8aR)-2-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide (C30 H45 N5 O3, 523.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
1BG
Formula
C30 H45 N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

1BG in 2 structures; the first of them:

  • 4HY4 · Crystal structure of cIAP1 BIR3 bound to T3170284 · 1BG A402 · binds ASP297, VAL298, LYS299, GLY306, LEU307, ARG308, CYS309, TRP310 and 5 more
  • 4HY4 · Crystal structure of CIAP1 BIR3 bound to T3170284 · 1BG A402 · binds ASP297, VAL298, LYS299, GLY306, LEU307, ARG308, CYS309, TRP310 and 5 more

Residues it binds most

ASP 4, GLU 4, TRP 4, ARG 4, CYS 4, GLY 4, LEU 4, LYS 4, PHE 4, VAL 4 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion

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