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Ligand · KXD

KXD · 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-[4-(naphthalen-1-yloxymethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one

KXD, 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-[4-(naphthalen-1-yloxymethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^…

Component
KXD
Formula
C38 H37 N9 O14 P2
Class
ligand
Structures
1
PDB entries
1

Binding sites

KXD in 1 structure; the first of them:

  • 8A2K · human STING in complex with 2'-3'-cyclic-GMP-7-deaza(4-[(2-naphthyloxy)methyl]phenyl)-AMP · KXD B401 · binds SER162, TYR163, GLY166, TYR167, ILE235, ARG238, VAL239, TYR240 and 19 more

Residues it binds most

TYR 1, ARG 1, GLY 1, THR 1, ILE 1, PRO 1, SER 1, VAL 1, ASP 1, GLN 1 (residue and the binding sites it lines).

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