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Ligand · Y3I

Y3I · (3P)-3-{4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile

Y3I, (3P)-3-{4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile (C19 H19 Cl N6, 366.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with…

Component
Y3I
Formula
C19 H19 Cl N6
Class
ligand
Structures
2
PDB entries
2

Binding sites

Y3I in 2 structures; the first of them:

  • 8FJZ · Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with… · Y3I A401 · binds LEU23, GLY24, GLY25, GLY26, VAL31, ALA44, LYS46, VAL75 and 11 more
  • 8FP3 · PKCeta kinase domain in complex with compound 11 · Y3I A9000 · binds LEU361, GLY362, PHE366, VAL369, ALA382, LYS384, GLU403, THR417 and 10 more

Residues it binds most

GLY 7, ALA 7, ASP 7, LEU 7, VAL 7, PHE 7, GLU 7, ASN 7, LYS 7, MET 7 (residue and the binding sites it lines).

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