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(1S,2R)-2-{[(1S)-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid

2FS model coordinates provided in the wwPDB chemical component dictionary
(1S,2R)-2-{[(1S)-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid in PDB entry 4n1b, assembly 1, side view.
(1S,2R)-2-{[(1S)-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid in PDB entry 4n1b, assembly 1, top view.
Formula: C26 H28 N2 O4
Molecular weight: 433 Da

Environment details NEW

2FS 701 bound to chain A
Ligands and residuesInteractions
 hydrophobic
negatively charged
aromatic
polar
cystein
water
positively charged
other
glycine
bound molecule
glycans (SNFG)
aromatic
clashes
covalent
electrostatic
metal hydrophobic
vdw
TYR334ASN414ARG415ALA556TYR572PHE577SER602

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The above 2D and 3D (Mol*) views of ligand interactions use quaternary structure derived from the PDB entry.
Please note:
  • Some chain IDs in the tooltip are followed by a number in square brackets. This number corresponds to the operation ID (mmCIF ‘oper_expression’) used to transform the chain.
  • The structure seen in Mol* (3D view) was protonated using ChimeraX.
  • Interactions were calculated using Arpeggio (see details for interaction types).
  • The colour scheme used is consistent with Clustal X.

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