Ligand · IES

IES · propan-2-yl N-[(2S,4R)-1-ethanoyl-2-methyl-6-[4-[[8-(oxidanylamino)-8-oxidanylidene-octanoyl]amino]phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate

IES, propan-2-yl N-[(2S,4R)-1-ethanoyl-2-methyl-6-[4-[[8-(oxidanylamino)-8-oxidanylidene-octanoyl]amino]phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate (C30 H40 N4 O6, 552.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component: IES
Formula: C30 H40 N4 O6
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

IES in 2 structures; the first of them:

4CL9 · N-terminal bromodomain of human BRD4 with I-BET295 · IES A1170 · binds TRP81, PRO82, PHE83, GLN84, GLN85, VAL87, LYS91, LEU92 and 8 more
4CL9 · N-terminal bromodomain of human BRD4 with I-BET295 · IES A1170 · binds TRP81, PRO82, PHE83, GLN84, GLN85, VAL87, LYS91, LEU92 and 8 more

Residues it binds most

GLN 2, LEU 2, TYR 2, ASN 2, ASP 2, CYS 2, ILE 2, LYS 2, MET 2, PHE 2 (residue and the binding sites it lines).

Found with

EDO · 1,2-ethanediol

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