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Ligand · 599

599 · 2-[3-{4-chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-(3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethanol

599, 2-[3-{4-chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-(3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethanol (C29 H30 Cl2 N4 O3, 553.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component
599
Formula
C29 H30 Cl2 N4 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

599 in 2 structures; the first of them:

  • 3IEJ · Pyrazole-based Cathepsin S Inhibitors with Arylalkynes as P1 Binding Elements · 599 A221 · binds GLY23, SER25, TRP26, CYS66, ASN67, GLY68, GLY69, PHE70 and 12 more
  • 3IEJ · Pyrazole-based cathepsin S inhibitors with arylalkynes as P1 binding elements · 599 A221 · binds GLY23, SER25, TRP26, CYS66, ASN67, GLY68, GLY69, PHE70 and 12 more

Residues it binds most

GLY 4, ASN 4, PHE 4, VAL 4, CYS 4, GLN 4, HIS 4, MET 4, SER 4, THR 4 (residue and the binding sites it lines).

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