GL1X · GenesisL1 explorer

Ligand · 92S

92S · 1-(4-fluorophenyl)-4-[(10~{R},15~{S})-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5, 7,9(16)-trien-12-yl]butan-1-one

92S, 1-(4-fluorophenyl)-4-[(10~{R},15~{S})-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5, 7,9(16)-trien-12-yl]butan-1-one (C24 H28 F N3 O, 393.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
92S
Formula
C24 H28 F N3 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

92S in 2 structures; the first of them:

  • 7WC8 · Crystal structure of serotonin 2A receptor in complex with lumateperone · 92S A1207 · binds TRP151, ASP155, VAL156, SER159, THR160, ILE163, CYS227, LEU228 and 13 more
  • 7WC8 · Crystal structure of serotonin 2A receptor in complex with lumateperone · 92S A1207 · binds TRP151, ASP155, VAL156, SER159, THR160, ILE163, LEU228, LEU229 and 11 more

Residues it binds most

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

Found with

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

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