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Ligand · 1BR

1BR · N-(4-tert-butylbenzyl)-1,5-dimethyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-8-amine 4,4-dioxide

1BR, N-(4-tert-butylbenzyl)-1,5-dimethyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-8-amine 4,4-dioxide (C22 H26 N4 O2 S, 410.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
1BR
Formula
C22 H26 N4 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

1BR in 2 structures; the first of them:

  • 4I4F · Structure of Focal Adhesion Kinase catalytic domain in complex with an allosteric binding… · 1BR A702 · binds LYS454, MET475, ILE483, VAL484, LEU486, MET499, LEU534, LEU537 and 13 more
  • 4I4F · Structure of focal adhesion kinase catalytic domain in complex with an allosteric binding… · 1BR A702 · binds LYS454, MET475, ILE483, VAL484, LEU486, MET499, LEU534, LEU537 and 13 more

Residues it binds most

LEU 2, MET 2, PHE 2, ASP 2, VAL 2, ARG 2, ASN 2, CYS 2, GLY 2, HIS 2 (residue and the binding sites it lines).

Found with

  • IPA · Isopropyl alcohol

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