Ligand · OFR

OFR · Prop-2-en-1-yl (5S)-1-ethyl-7-methyl-5-(4-methylphenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2, 3-d]pyrimidine-6-carboxylate

OFR, Prop-2-en-1-yl (5S)-1-ethyl-7-methyl-5-(4-methylphenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2, 3-d]pyrimidine-6-carboxylate (C21 H23 N3 O4, 381.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries).…

Component: OFR
Formula: C21 H23 N3 O4
Class: ligand
Structures: 2
PDB entries: 2

Binding sites

OFR in 2 structures; the first of them:

7UTY · First bromodomain of BRD4 liganded with compound 2C · OFR A201 · binds TRP81, PRO82, PHE83, VAL87, LEU92, LEU94, TYR97, TYR139 and 4 more
7UUU · First bromodomain of brdt liganded with compound 2C · OFR A201 · binds TRP50, PRO51, VAL56, LEU61, GLN62, LEU63, TYR66, TYR108 and 4 more

Residues it binds most

LEU 2, TYR 2, ASN 2, ASP 2, ILE 2, MET 2, PRO 2, TRP 2, VAL 2, GLN 1 (residue and the binding sites it lines).

Found with

EDO · 1,2-ethanediol

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