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Ligand · H8G

H8G · N,N-diethyl-N'-[(8alpha)-6-methyl-9,10-didehydroergolin-8-yl]urea

H8G, N,N-diethyl-N'-[(8alpha)-6-methyl-9,10-didehydroergolin-8-yl]urea (C20 H26 N4 O, 338.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues…

Component
H8G
Formula
C20 H26 N4 O
Class
ligand
Structures
4
PDB entries
3

Binding sites

H8G in 4 structures; the first of them:

  • 7UM6 · CryoEM structure of Go-coupled 5-HT5AR in complex with Lisuride · H8G A401 · binds TRP117, ASP121, VAL122, CYS125, THR126, CYS192, VAL194, SER204 and 5 more
  • 6DRX · Structural determinants of activation and biased agonism at the 5-HT2B receptor · H8G A1201 · binds TRP131, LEU132, ASP135, VAL136, SER139, THR140, VAL208, LEU209 and 9 more
  • 7UM6 · Cryoem structure of go-coupled 5-HT5AR in complex with lisuride · H8G A401 · binds TRP117, ASP121, VAL122, CYS125, THR126, CYS192, SER204, PHE301 and 1 more
  • 7WC7 · Crystal structure of serotonin 2A receptor in complex with lisuride · H8G A1212 · binds TRP151, ILE152, ASP155, VAL156, SER159, CYS227, LEU229, VAL235 and 8 more

Residues it binds most

VAL 4, PHE 4, SER 4, TRP 4, CYS 3, LEU 4, ASP 4, THR 3, ALA 2, ASN 2 (residue and the binding sites it lines).

Found with

  • CLR · Cholesterol
  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate
  • MG · Magnesium ion
  • 1PE · Pentaethylene glycol
  • PEG · Di(hydroxyethyl)ether

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