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Ligand · RN5

RN5 · 4-{(2S, 4R)-1-acetyl-4-[(1-benzothiophen-6-yl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl}benzoic acid

RN5, 4-{(2S, 4R)-1-acetyl-4-[(1-benzothiophen-6-yl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl}benzoic acid (C27 H24 N2 O3 S, 456.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
RN5
Formula
C27 H24 N2 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

RN5 in 2 structures; the first of them:

  • 7AMH · SmBRD3(2), Second Bromodomain of Bromodomain 3 from Schistosoma mansoni in complex with… · RN5 A201 · binds HIS41, PHE42, PHE43, VAL47, LEU52, LEU54, TYR57, CYS96 and 4 more
  • 7AMH · SMBRD3(2), second bromodomain of bromodomain 3 from schistosoma mansoni in complex with… · RN5 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).

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