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Ligand · A1APQ

A1APQ · (4S,5R,7R,11aP)-10-{[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl}-N~3~-methyl-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide

A1APQ, (4S,5R,7R,11aP)-10-{[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl}-N~3~-methyl-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide (C23 H23 N5 O4, 433.5 g/mol), in the MolNFT structures on GenesisL1…

Component
A1APQ
Formula
C23 H23 N5 O4
Class
ligand
Structures
1
PDB entries
1

Binding sites

A1APQ in 1 structure; the first of them:

  • 9BJ1 · Crystal structure of inhibitor GNE-6893 bound to HPK1 · A1APQ B307 · binds LEU23, GLY24, GLY25, GLY26, VAL31, ALA44, LYS46, GLU62 and 15 more

Residues it binds most

GLY 1, ALA 1, LEU 1, GLU 1, PHE 1, VAL 1, ASP 1, CYS 1, ILE 1, LYS 1 (residue and the binding sites it lines).

Found with

  • A1APR · (9S)-2-{[(6P)-8-amino-6-(5-amino-4-methylpyridin-3-yl)-7-fluoroisoquinolin-3-yl]amino}-6-methyl-5,6-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7(8H)-one
  • NA · Sodium ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol
  • MES · 2-(N-morpholino)-ethanesulfonic acid
  • PEG · Di(hydroxyethyl)ether

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