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Ligand · H8D

H8D · (8beta)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide

H8D, (8beta)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide (C20 H25 N3 O2, 339.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within…

Component
H8D
Formula
C20 H25 N3 O2
Class
ligand
Structures
2
PDB entries
2

Binding sites

H8D in 2 structures; the first of them:

  • 6DRY · Structural determinants of activation and biased agonism at the 5-HT2B receptor · H8D A2001 · binds ASP135, VAL136, SER139, THR140, VAL208, LEU209, PHE217, GLY221 and 8 more
  • 7UM7 · Cryoem structure of go-coupled 5-HT5AR in complex with methylergometrine · H8D A401 · binds TRP117, ILE118, ASP121, VAL122, CYS125, THR126, SER204, TRP298 and 3 more

Residues it binds most

VAL 2, LEU 2, PHE 2, SER 2, ASP 2, THR 2, TRP 1, TYR 2, ALA 1, CYS 1 (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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