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Ligand · J40

J40 · [(2R)-1-[oxidanyl-[(2R,3R,5S,6R)-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] (5E, 8E)-hexadeca-5,8,11,14-tetraenoate

J40, [(2R)-1-[oxidanyl-[(2R,3R,5S,6R)-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] (5E, 8E)-hexadeca-5,8,11,14-tetraenoate (C39 H68 O16 P2, 854.9 g/mol), in the MolNFT structures…

Component
J40
Formula
C39 H68 O16 P2
Class
ligand
Structures
10
PDB entries
8

Binding sites

J40 in 10 structures; the first of them:

  • 7E2X · Apo serotonin 1A (5-HT1A) receptor-Gi protein complex · J40 R601 · binds CYS351, GLY352, CYS49, ARG134, LYS345, THR346, ILE349, ILE350 and 6 more
  • 7E2Z · Aripiprazole-bound serotonin 1A (5-HT1A) receptor-Gi protein complex · J40 R505 · binds ASP350, CYS351, GLY352, CYS49, LEU52, GLY53, ARG134, LYS342 and 10 more
  • 8FY8 · 5-MeO-DMT-bound serotonin 1A (5-HT1A) receptor-Gi1 protein complex · J40 R502 · binds CYS351, GLY352, CYS49, LEU52, GLY53, ARG134, LYS342, LYS345 and 11 more
  • 8FYE · 4-F, 5-MeO-PyrT-bound serotonin 1A (5-HT1A) receptor-Gi1 protein complex · J40 R502 · binds ASP350, CYS351, GLY352, CYS49, LEU52, GLY53, ARG134, LYS342 and 12 more
  • 8FYL · Vilazodone-bound serotonin 1A (5-HT1A) receptor-Gi1 protein complex · J40 R501 · binds ASP350, CYS351, GLY352, CYS49, LEU52, GLY53, ARG134, LYS345 and 10 more
  • 8FYT · LSD-bound serotonin 1A (5-HT1A) receptor-Gi1 protein complex · J40 R502 · binds CYS49, LEU52, GLY53, ARG134, LYS342, LYS345, THR346, ILE349 and 11 more
  • 8FYX · Buspirone-bound serotonin 1A (5-HT1A) receptor-Gi1 protein complex · J40 R502 · binds ASP350, CYS351, GLY352, CYS49, LEU52, GLY53, ARG134, LYS342 and 11 more
  • 7E2X · Apo serotonin 1A (5-HT1A) receptor-gi protein complex · J40 R601 · binds CYS351, GLY352, CYS49, ARG134, LYS345, THR346, ILE349, ILE350 and 6 more
  • 7E2Y · Serotonin-bound serotonin 1A (5-HT1A) receptor-gi protein complex · J40 R502 · binds CYS351, GLY53, ARG134, LYS342, LYS345, THR346, ILE349, ILE350 and 5 more
  • 7E2Z · Aripiprazole-bound serotonin 1A (5-HT1A) receptor-gi protein complex · J40 R505 · binds CYS351, GLY352, CYS49, LEU52, GLY53, ARG134, LYS342, LYS345 and 8 more

Residues it binds most

ILE 10, LYS 10, CYS 10, GLY 10, TYR 10, LEU 7, ARG 10, ASN 10, PHE 10, THR 10 (residue and the binding sites it lines).

Found with

  • CLR · Cholesterol
  • Y01 · Cholesterol hemisuccinate
  • 9SC · 7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
  • PLM · Palmitic acid
  • 7LD · (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide
  • SRO · Serotonin
  • YFW · 2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethan-1-amine
  • YG7 · 5-{4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl}-1-benzofuran-2-carboxamide
  • YGH · 4-fluoro-5-methoxy-3-[2-(pyrrolidin-1-yl)ethyl]-1H-indole
  • YLX · Buspirone

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