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Ligand · 845

845 · N-(3-{5-[5-(1H-indol-4-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)-1H-pyrazol-1-yl}benzyl)-L-alaninamide

845, N-(3-{5-[5-(1H-indol-4-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)-1H-pyrazol-1-yl}benzyl)-L-alaninamide (C24 H22 F3 N7 O2, 497.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
845
Formula
C24 H22 F3 N7 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

845 in 2 structures; the first of them:

  • 2Y1X · Crystal structure of coactivator associated arginine methyltransferase 1 (CARM1) in… · 845 A1002 · binds PHE153, TYR154, GLN159, ASN162, MET163, GLU258, PRO259, MET260 and 10 more
  • 2Y1X · Crystal structure of coactivator associated arginine methyltransferase 1 (CARM1) in… · 845 A1002 · binds PHE153, TYR154, GLN159, ASN162, MET163, GLU258, PRO259, MET260 and 10 more

Residues it binds most

TYR 8, MET 8, ASN 8, GLU 8, PHE 8, PRO 8, GLN 8, GLY 8, HIS 8, TRP 8 (residue and the binding sites it lines).

Found with

  • SAH · S-adenosyl-L-homocysteine
  • CL · Chloride ion

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