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Ligand · 9DP

9DP · (3S)-6-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

9DP, (3S)-6-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (C24 H25 Cl2 N5 O3, 502.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
9DP
Formula
C24 H25 Cl2 N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

9DP in 2 structures; the first of them:

  • 3QRK · The crystal structure of human abl1 kinase domain in complex with DP-987 · 9DP A1 · binds VAL256, ALA269, VAL270, LYS271, GLU282, GLU286, VAL289, MET290 and 12 more
  • 3QRK · The crystal structure of human ABL1 kinase domain in complex with dp- 987 · 9DP A1 · binds VAL256, ALA269, VAL270, LYS271, GLU282, GLU286, VAL289, MET290 and 12 more

Residues it binds most

VAL 2, ALA 2, GLU 2, ILE 2, LEU 2, ASP 2, GLY 2, HIS 2, LYS 2, MET 2 (residue and the binding sites it lines).

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