GL1X · GenesisL1 explorer

Ligand · P7U

P7U · {(2S)-4-[(7P)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4R,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-1-[(3S)-2,2,3-trihydroxybutanoyl]piperazin-2-yl}acetonitrile

P7U, {(2S)-4-[(7P)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4R,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-1-[(3S)-2,2,3-trihydroxybutanoyl]piperazin-2-yl}acetonitrile (C35 H37 Cl F N7 O5, 690.2 g/mol), in…

Component
P7U
Formula
C35 H37 Cl F N7 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

P7U in 2 structures; the first of them:

  • 8CX5 · Crystal Structure of small molecule alpha,beta-ketoamide 4 covalently bound to K-Ras(G12R) · P7U A202 · binds VAL9, GLY10, ARG12, LYS16, PRO34, THR58, ALA59, GLY60 and 15 more
  • 8CX5 · Crystal structure of small molecule ALPHA,BETA-ketoamide 4 covalently bound to K-RAS(G12R) · P7U A202 · binds VAL9, GLY10, ARG12, LYS16, PRO34, THR58, ALA59, GLY60 and 15 more

Residues it binds most

ARG 4, ASP 4, GLN 4, GLU 4, GLY 4, TYR 4, VAL 4, LYS 4, ALA 4, HIS 4 (residue and the binding sites it lines).

Found with

  • GDP · Guanosine-5'-diphosphate
  • MG · Magnesium ion
  • NA · Sodium ion
  • PO4 · Phosphate ion

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