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Ligand · C3T

C3T · (3~{S},6~{S},7~{S},9~{a}~{S})-~{N}-[(4-~{tert}-butylphenyl)methyl]-7-(hydroxymethyl)-6-[[(2~{S})-2-(methylamino)butanoyl]amino]-5-oxidanylidene-1,2,3,6,7,8,9,9~{a}-octahydropyrrolo[1,2-a]azepine-3-carboxamide

C3T, (3~{S},6~{S},7~{S},9~{a}~{S})-~{N}-[(4-~{tert}-butylphenyl)methyl]-7-(hydroxymethyl)-6-[[(2~{S})-2-(methylamino)butanoyl]amino]-5-oxidanylidene-1,2,3,6,7,8,9,9~{a}-octahydropyrrolo[1,2-a]azepine-3-carboxamide (C27 H42 N4 O4, 486.6…

Component
C3T
Formula
C27 H42 N4 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

C3T in 2 structures; the first of them:

  • 6EY2 · Crystal structure of XIAP-BIR3 in complex with a cIAP1-selective SM · C3T A402 · binds LEU292, LYS297, LYS299, GLY304, GLY305, GLY306, LEU307, THR308 and 13 more
  • 6EY2 · Crystal structure of xiap-BIR3 in complex with a CIAP1-selective sm · C3T A402 · binds LEU292, LYS297, LYS299, GLY304, GLY305, GLY306, LEU307, THR308 and 13 more

Residues it binds most

LEU 16, LYS 16, GLU 16, TRP 16, THR 16, GLY 16, GLN 16, ASP 16, TYR 16, HIS 6 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion

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