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Ligand · A1APR

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

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 (C23 H23 F N8 O, 446.5 g/mol), in the MolNFT structures on GenesisL1: bound in 1…

Component
A1APR
Formula
C23 H23 F N8 O
Class
ligand
Structures
1
PDB entries
1

Binding sites

A1APR in 1 structure; the first of them:

  • 9BJ1 · Crystal structure of inhibitor GNE-6893 bound to HPK1 · A1APR A307 · binds ARG22, LEU23, GLY24, TYR28, VAL31, ALA44, LYS46, VAL75 and 13 more

Residues it binds most

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

Found with

  • 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
  • NA · Sodium ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol
  • MES · 2-(N-morpholino)-ethanesulfonic acid
  • PEG · Di(hydroxyethyl)ether

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