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Ligand · 7YE

7YE · N-[4-[(5R)-6-oxidanylidene-5-quinolin-5-yl-5-(trifluoromethyl)-1,4-dihydropyridazin-3-yl]phenyl]-1, 3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

7YE, N-[4-[(5R)-6-oxidanylidene-5-quinolin-5-yl-5-(trifluoromethyl)-1,4-dihydropyridazin-3-yl]phenyl]-1, 3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (C28 H21 F3 N6 O2, 530.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
7YE
Formula
C28 H21 F3 N6 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

7YE in 2 structures; the first of them:

  • 7PPH · CRYSTAL STRUCTURE OF NAMPT IN COMPLEX WITH Compound 10 · 7YE A501 · binds TYR188, HIS191, PHE193, ARG196, ASP219, SER241, VAL242, ALA244 and 10 more
  • 7PPH · Crystal structure of nampt in complex with compound 10 · 7YE A501 · binds TYR188, HIS191, PHE193, ARG196, ASP219, VAL242, ALA244, PRO273 and 7 more

Residues it binds most

ARG 4, ALA 4, TYR 4, ILE 4, PRO 4, ASP 4, SER 4, HIS 4, PHE 4, VAL 4 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion
  • GOL · Glycerol

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