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Ligand · DRO

DRO · 1-(2-{[(3S)-3-(aminomethyl)-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}phenyl)-4-chloro-5-methyl-N,N-diphenyl-1H-pyrazole-3-carboxamide

DRO, 1-(2-{[(3S)-3-(aminomethyl)-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}phenyl)-4-chloro-5-methyl-N,N-diphenyl-1H-pyrazole-3-carboxamide (C34 H30 Cl N5 O2, 576.1 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
DRO
Formula
C34 H30 Cl N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

DRO in 2 structures; the first of them:

  • 2W3L · Crystal Structure of Chimaeric Bcl2-xL and Phenyl Tetrahydroisoquinoline Amide Complex · DRO A1166 · binds PHE63, TYR67, ASP70, PHE71, MET74, ARG88, VAL92, GLU95 and 5 more
  • 2W3L · Crystal structure of chimaeric BCL2-xl and phenyl tetrahydroisoquinoline amide complex · DRO A1166 · binds PHE63, TYR67, ASP70, PHE71, MET74, ARG88, VAL92, GLU95 and 5 more

Residues it binds most

PHE 4, ARG 4, ALA 4, ASP 4, GLU 4, GLY 4, LEU 4, MET 4, TYR 4, VAL 4 (residue and the binding sites it lines).

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