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Ligand · 2P1

2P1 · N-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide

2P1, N-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide (C21 H15 F3 N4 O3 S, 460.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…

Component
2P1
Formula
C21 H15 F3 N4 O3 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

2P1 in 4 structures; the first of them:

  • 4O13 · The crystal structure of NAMPT in complex with GNE-618 · 2P1 A601 · binds TYR188, HIS191, PHE193, ARG196, LYS216, GLY217, ASP219, TYR240 and 12 more
  • 4O15 · The crystal structure of a mutant NAMPT (S165F) in complex with GNE-618 · 2P1 A601 · binds TYR188, HIS191, PHE193, ARG196, LYS216, GLY217, ASP219, TYR240 and 12 more
  • 4O13 · The crystal structure of nampt in complex with gne-618 · 2P1 A601 · binds TYR188, HIS191, PHE193, ARG196, LYS216, GLY217, ASP219, TYR240 and 12 more
  • 4O15 · The crystal structure of a mutant nampt (S165F) in complex with gne- 618 · 2P1 A601 · binds TYR188, HIS191, PHE193, ARG196, LYS216, GLY217, ASP219, TYR240 and 12 more

Residues it binds most

TYR 8, ALA 8, ARG 8, ASP 8, ILE 8, PRO 8, SER 8, GLY 8, HIS 8, LYS 8 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion
  • EDO · 1,2-ethanediol

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