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Ligand · A1ICO

A1ICO · 7-methyl-3-[[4-oxidanyl-1-[(3~{R},4~{R})-3-phenyl-1-[(5-pyridin-4-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]carbonyl-piperidin-4-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-one

A1ICO, 7-methyl-3-[[4-oxidanyl-1-[(3~{R},4~{R})-3-phenyl-1-[(5-pyridin-4-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]carbonyl-piperidin-4-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-one (C34 H37 N7 O3 S, 623.8 g/mol), in the MolNFT structures on…

Component
A1ICO
Formula
C34 H37 N7 O3 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

A1ICO in 1 structure; the first of them:

  • 9FIV · Structure-guided discovery of selective USP7 inhibitors with in vivo activity · A1ICO A601 · binds TYR224, LEU288, MET292, HIS294, ASP295, VAL296, GLN297, GLN351 and 11 more

Residues it binds most

GLN 2, TYR 2, HIS 2, MET 2, ALA 2, LEU 2, ARG 2, ASP 2, GLY 1, LYS 2 (residue and the binding sites it lines).

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