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Ligand · 8EH

8EH · (1R,2S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methylpyridin-2-yl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-oxidanyl-propane-2-sulfonamide

8EH, (1R,2S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methylpyridin-2-yl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-oxidanyl-propane-2-sulfonamide (C24 H27 N7 O5 S, 525.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (3…

Component
8EH
Formula
C24 H27 N7 O5 S
Class
ligand
Structures
4
PDB entries
3

Binding sites

8EH in 4 structures; the first of them:

  • 7W0L · Cryo-EM structure of a dimeric GPCR-Gi complex with small molecule · 8EH Q401 · binds TYR35, PHE78, TRP85, ILE109, PHE110, MET113, ARG168, MET183 and 8 more
  • 7SUS · Crystal structure of apelin receptor in complex with small molecule · 8EH A1102 · binds PHE78, TRP85, SER106, ILE109, PHE110, ARG168, GLU198, TYR264 and 8 more
  • 7W0L · Cryo-EM structure of a dimeric GPCR-gi complex with small molecule · 8EH Q401 · binds TYR35, PHE78, TRP85, ILE109, PHE110, MET113, ARG168, TRP261 and 5 more
  • 7W0M · Cryo-EM structure of a monomeric GPCR-gi complex with small molecule · 8EH R401 · binds PHE78, TRP85, ILE109, PHE110, TYR264, LYS268, TYR271, PHE291 and 1 more

Residues it binds most

TYR 6, PHE 6, TRP 6, MET 5, SER 4, THR 6, ILE 5, ARG 4, LYS 4, LEU 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate

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