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Ligand · W3T

W3T · 1-[(1~{S},5~{R})-3-[7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]ethanone

W3T, 1-[(1~{S},5~{R})-3-[7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]ethanone…

Component
W3T
Formula
C35 H33 F3 N6 O3
Class
ligand
Structures
1
PDB entries
1

Binding sites

W3T in 1 structure; the first of them:

  • 8WB1 · Crystal Structure of small molecule KN2H covalently bound to K-Ras(G12D) · W3T A204 · binds VAL9, GLY10, ALA11, ASP12, PRO35, ALA60, GLY61, GLN62 and 15 more

Residues it binds most

ASP 1, ALA 1, ARG 1, GLN 1, GLU 1, GLY 1, TYR 1, VAL 1, HIS 1, ILE 1 (residue and the binding sites it lines).

Found with

  • GDP · Guanosine-5'-diphosphate
  • MG · Magnesium ion
  • EDO · 1,2-ethanediol

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