Ligand · 2DX

2DX · (3S,8aR)-2-[(2S)-2-cyclohexyl-2-{[(2S)-2-(methylamino)butanoyl]amino}acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide

2DX, (3S,8aR)-2-[(2S)-2-cyclohexyl-2-{[(2S)-2-(methylamino)butanoyl]amino}acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide (C30 H45 N5 O4, 539.7 g/mol), in the MolNFT structures on GenesisL1: bound…

Component: 2DX
Formula: C30 H45 N5 O4
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

2DX in 2 structures; the first of them:

4MTI · Crystal structure of cIAP1 BIR3 bound to T3258042 · 2DX A402 · binds ASP297, VAL298, LYS299, GLY306, LEU307, ARG308, CYS309, TRP310 and 5 more
4MTI · Crystal structure of CIAP1 BIR3 bound to T3258042 · 2DX 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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