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Ligand · 2RK

2RK · 4-[(5Z)-5-(1-nitroso-2,3-dihydro-5H-inden-5-ylidene)-2-(piperidin-4-yl)-3,5-dihydro-4H-imidazol-4-ylidene]-1,4-dihydropyridine

2RK, 4-[(5Z)-5-(1-nitroso-2,3-dihydro-5H-inden-5-ylidene)-2-(piperidin-4-yl)-3,5-dihydro-4H-imidazol-4-ylidene]-1,4-dihydropyridine (C22 H23 N5 O, 373.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
2RK
Formula
C22 H23 N5 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

2RK in 2 structures; the first of them:

  • 4O7C · Crystal structure of the first bromodomain of human BRD4 in complex with SB-614067-R · 2RK A201 · binds TRP81, PRO82, PHE83, GLN85, VAL87, LEU92, LEU94, TYR97 and 4 more
  • 4O7C · Crystal structure of the first bromodomain of human BRD4 in complex with sb-614067-R · 2RK A201 · binds TRP81, PRO82, PHE83, GLN85, VAL87, LEU92, LEU94, TYR97 and 4 more

Residues it binds most

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

Found with

  • EDO · 1,2-ethanediol

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