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Ligand · YHV

YHV · 4-fluoro-N-[(1R,3S)-3-{(3S)-3-[(methanesulfonyl) (methyl)amino]pyrrolidin-1-yl}cyclohexyl]-7-methyl-1H-indole-2-carboxamide

YHV, 4-fluoro-N-[(1R,3S)-3-{(3S)-3-[(methanesulfonyl) (methyl)amino]pyrrolidin-1-yl}cyclohexyl]-7-methyl-1H-indole-2-carboxamide (C22 H31 F N4 O3 S, 450.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
YHV
Formula
C22 H31 F N4 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

YHV in 2 structures; the first of them:

  • 7LZF · Crystal Structure of SETD2 bound to Compound 57 · YHV A1805 · binds TYR1579, ALA1597, TYR1604, TYR1605, PHE1606, MET1627, HIS1629, PHE1664 and 8 more
  • 7LZF · Crystal structure of SETD2 bound to compound 57 · YHV A1805 · binds TYR1579, ALA1597, TYR1604, TYR1605, PHE1606, MET1627, HIS1629, PHE1664 and 8 more

Residues it binds most

TYR 2, PHE 2, ALA 2, GLU 2, GLY 2, HIS 2, LEU 2, LYS 2, MET 2, SAM 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • EDO · 1,2-ethanediol

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