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Ligand · 73B

73B · 4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid

73B, 4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid (C25 H23 Cl N2 O3, 434.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
73B
Formula
C25 H23 Cl N2 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

73B in 2 structures; the first of them:

  • 7AMC · SmBRD3(2), Bromodomain 2 of the Bromodomain 3 protein from Schistosoma mansoni in complex… · 73B A201 · binds HIS41, PHE42, PHE43, VAL47, LEU52, LEU54, TYR57, CYS96 and 4 more
  • 7AMC · SMBRD3(2), bromodomain 2 of the bromodomain 3 protein from schistosoma mansoni in complex… · 73B A201 · binds HIS41, PHE42, PHE43, LEU52, LEU54, CYS96, ASN100, GLU105 and 1 more

Residues it binds most

LEU 4, PHE 4, VAL 4, ASN 4, CYS 4, GLU 4, HIS 4, TYR 2 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • GOL · Glycerol

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