GL1X · GenesisL1 explorer

Ligand · I7H

I7H · (3R,4R)-1-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4S,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3-hydroxypiperidine-4-carbaldehyde

I7H, (3R,4R)-1-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4S,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3-hydroxypiperidine-4-carbaldehyde (C31 H31 Cl F N5 O3, 576.1 g/mol), in the MolNFT structures on…

Component
I7H
Formula
C31 H31 Cl F N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

I7H in 2 structures; the first of them:

  • 7TLG · Crystal Structure of small molecule beta-lactone 5 covalently bound to K-Ras(G12S) · I7H A202 · binds VAL9, GLY10, ALA11, SER12, LYS16, THR58, ALA59, GLY60 and 15 more
  • 7TLG · Crystal structure of small molecule beta-lactone 5 covalently bound to K-RAS(G12S) · I7H A202 · binds VAL9, GLY10, ALA11, SER12, LYS16, THR58, ALA59, GLY60 and 15 more

Residues it binds most

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

Found with

  • GDP · Guanosine-5'-diphosphate
  • MG · Magnesium ion

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