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Ligand · 2D6

2D6 · N-[trans-4-(4-cyanophenoxy)cyclohexyl]-3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]propanamide

2D6, N-[trans-4-(4-cyanophenoxy)cyclohexyl]-3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]propanamide (C24 H24 N4 O3 S, 448.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
2D6
Formula
C24 H24 N4 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

2D6 in 2 structures; the first of them:

  • 4MT9 · Co-crystal structure of tankyrase 1 with compound 49 · 2D6 A1402 · binds PHE1183, HIS1184, GLY1185, SER1186, PHE1188, ALA1191, ILE1192, ASP1198 and 13 more
  • 4MT9 · Co-crystal structure of tankyrase 1 with compound 49 · 2D6 A1402 · binds PHE1183, HIS1184, GLY1185, SER1186, PHE1188, ALA1191, ILE1192, ASP1198 and 13 more

Residues it binds most

PHE 4, ALA 4, ILE 4, GLY 4, HIS 4, SER 4, TYR 4, LYS 4, ASP 4, GLU 4 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion

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