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Ligand · DE6

DE6 · 1-[(5~{S},8~{R},15~{S},18~{S})-15,18-bis(4-azanylbutyl)-5-methyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine

DE6, 1-[(5~{S},8~{R},15~{S},18~{S})-15,18-bis(4-azanylbutyl)-5-methyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine (C31 H52 N10 O5, 644.8 g/mol), in the MolNFT…

Component
DE6
Formula
C31 H52 N10 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

DE6 in 2 structures; the first of them:

  • 6KK5 · Crystal structure of Zika NS2B-NS3 protease with compound 15 · DE6 B201 · binds GLY82, ASP83, PHE84, SER85, HIS51, ASP129, TYR130, ALA132 and 8 more
  • 6KK5 · Crystal structure of zika NS2B-NS3 protease with compound 15 · DE6 B201 · binds GLY82, ASP83, PHE84, SER85, HIS51, ASP129, TYR130, ALA132 and 8 more

Residues it binds most

GLY 2, SER 2, ASP 2, TYR 2, ALA 2, ASN 2, HIS 2, PHE 2, VAL 2 (residue and the binding sites it lines).

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