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Ligand · B79

B79 · (8R,9S,10S)-10-[(dimethylamino)methyl]-N-(4-methoxyphenyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide

B79, (8R,9S,10S)-10-[(dimethylamino)methyl]-N-(4-methoxyphenyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (C33 H38 N4 O2, 522.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
B79
Formula
C33 H38 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

B79 in 2 structures; the first of them:

  • 7DPI · Plasmodium falciparum cytoplasmic Phenylalanyl-tRNA synthetase in complex with BRD7929 · B79 A701 · binds PHE461, GLU465, ILE489, LEU521, GLU522, VAL523, GLY524, ASN525 and 10 more
  • 7DPI · Plasmodium falciparum cytoplasmic phenylalanyl-tRNA synthetase in complex with BRD7929 · B79 A701 · binds ILE489, GLU522, VAL523, GLY524, ASN525, SER526, ALA547, TRP548 and 5 more

Residues it binds most

GLY 4, SER 4, ILE 4, GLU 4, LEU 4, ARG 4, ASN 4, PRO 4, TRP 4, VAL 4 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion

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