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Ligand · YJ1

YJ1 · N-[(1r,4r)-4-(beta-alanylamino)cyclohexyl]-7-methyl-1H-indole-2-carboxamide

YJ1, N-[(1r,4r)-4-(beta-alanylamino)cyclohexyl]-7-methyl-1H-indole-2-carboxamide (C19 H26 N4 O2, 342.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
YJ1
Formula
C19 H26 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

YJ1 in 2 structures; the first of them:

  • 7LZB · Crystal Structure of SETD2 bound to Compound 2 · YJ1 A1805 · binds TYR1579, VAL1593, TYR1604, TYR1605, PHE1606, MET1607, MET1627, ASN1628 and 8 more
  • 7LZB · Crystal structure of SETD2 bound to compound 2 · YJ1 A1805 · binds TYR1579, VAL1593, TYR1604, TYR1605, PHE1606, MET1627, HIS1629, PHE1664 and 4 more

Residues it binds most

TYR 2, PHE 2, MET 2, GLU 2, HIS 2, VAL 2, ASN 1, GLN 1, LEU 1, SAM 1 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • BME · Beta-mercaptoethanol
  • SAM · S-adenosylmethionine

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