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Ligand · 59D

59D · (7R)-1-(4-fluorobenzyl)-N-{3-[(1S)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrol-2-ylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

59D, (7R)-1-(4-fluorobenzyl)-N-{3-[(1S)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrol-2-ylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide (C28 H28 F N5 O3, 501.6 g/mol), in the MolNFT structures on GenesisL1: bound in…

Component
59D
Formula
C28 H28 F N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

59D in 2 structures; the first of them:

  • 5DE1 · Crystal structure of human IDH1 in complex with GSK321A · 59D A502 · binds ALA111, ILE113, PRO118, ARG119, LEU120, TRP124, LYS126, PRO127 and 14 more
  • 5DE1 · Crystal structure of human IDH1 in complex with GSK321A · 59D A502 · binds ALA111, ILE113, PRO118, ARG119, LEU120, TRP124, LYS126, PRO127 and 14 more

Residues it binds most

ILE 4, VAL 4, ALA 4, LEU 4, PRO 4, TRP 4, MET 4, ARG 4, CYS 4, GLY 4 (residue and the binding sites it lines).

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate

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