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Ligand · TIM

TIM · (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol

TIM, (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol (C13 H24 N4 O3 S, 316.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within…

Component
TIM
Formula
C13 H24 N4 O3 S
Class
ligand
Structures
2
PDB entries
2

Binding sites

TIM in 2 structures; the first of them:

  • 6PS1 · Xfel BETA2 ar structure by ligand exchange from alprenolol to timolol. · TIM A1201 · binds TRP109, THR110, ASP113, VAL114, VAL117, THR118, PHE193, TYR199 and 9 more
  • 6PS6 · Xfel BETA2 ar structure by ligand exchange from timolol to timolol. · TIM A1201 · binds TRP109, THR110, ASP113, VAL114, VAL117, THR118, PHE193, TYR199 and 10 more

Residues it binds most

PHE 2, TYR 2, SER 2, ASN 2, THR 2, TRP 2, VAL 2, ASP 2 (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

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