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Ligand · JTZ

JTZ · (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol

JTZ, (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol (C15 H23 N O2, 249.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
JTZ
Formula
C15 H23 N O2
Class
ligand
Structures
4
PDB entries
4

Binding sites

JTZ in 4 structures; the first of them:

  • 8JJO · Cryo-EM structure of the beta2AR-mBRIL/1b3 Fab/Glue complex with an antagonist · JTZ F501 · binds TRP109, ASP113, VAL114, VAL117, THR118, PHE193, ALA200, SER203 and 7 more
  • 6OBA · The BETA2 adrenergic receptor bound to a negative allosteric modulator · JTZ A1203 · binds TRP109, THR110, ASP113, VAL114, VAL117, THR118, ALA200, SER203 and 7 more
  • 6PRZ · Xfel BETA2 ar structure by ligand exchange from alprenolol to alprenolol. · JTZ A1201 · binds TRP109, THR110, ASP113, VAL114, VAL117, PHE193, TYR199, ALA200 and 9 more
  • 6PS2 · Xfel BETA2 ar structure by ligand exchange from timolol to alprenolol. · JTZ A1201 · binds TRP109, THR110, ASP113, VAL114, VAL117, THR118, PHE193, SER203 and 6 more

Residues it binds most

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

Found with

  • CLR · Cholesterol
  • OLA · Oleic acid
  • SO4 · Sulfate ion
  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate
  • M3J · 6-bromo-N~2~-phenylquinazoline-2,4-diamine
  • OLB · (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate

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