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Ligand · H8J

H8J · (8alpha)-N-[(2S)-1-hydroxybutan-2-yl]-1,6-dimethyl-9, 10-didehydroergoline-8-carboxamide

H8J, (8alpha)-N-[(2S)-1-hydroxybutan-2-yl]-1,6-dimethyl-9, 10-didehydroergoline-8-carboxamide (C21 H27 N3 O2, 353.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
H8J
Formula
C21 H27 N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

H8J in 2 structures; the first of them:

  • 6DRZ · Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor · H8J A1206 · binds ASP135, VAL136, SER139, THR140, ILE186, VAL208, LEU209, PHE217 and 12 more
  • 6DRZ · Structural determinants of activation and biased agonism at the 5-HT2B receptor · H8J A1206 · binds ASP135, VAL136, SER139, THR140, VAL208, LEU209, PHE217, GLY221 and 8 more

Residues it binds most

PHE 2, VAL 2, GLY 2, LEU 2, SER 2, ASN 2, ASP 2, GLU 2, THR 2, TYR 2 (residue and the binding sites it lines).

Found with

  • CLR · Cholesterol
  • OLA · Oleic acid
  • PO4 · Phosphate ion
  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate
  • PEG · Di(hydroxyethyl)ether

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