Ligand · X49

X49 · (4S)-1-{[(4S)-2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl}-4-(4,4,4-trifluorobutyl)pyrrolidin-2-one

X49, (4S)-1-{[(4S)-2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl}-4-(4,4,4-trifluorobutyl)pyrrolidin-2-one (C16 H18 F6 N4 O2 S, 444.4 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1…

Component: X49
Formula: C16 H18 F6 N4 O2 S
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

X49 in 1 structure; the first of them:

8UO9 · Structure of synaptic vesicle protein 2A in complex with a nanobody · X49 A801 · binds ILE273, PHE277, CYS297, TRP300, MET301, TRP454, TYR461, TYR462 and 11 more

Residues it binds most

TRP 1, ASN 1, CYS 1, ILE 1, PHE 1, TYR 1, ASP 1, GLY 1, LYS 1, MET 1 (residue and the binding sites it lines).

Found with

PS1 · 1,2-didecanoyl-sn-glycero-3-[phospho-L-serine]
Y01 · Cholesterol hemisuccinate
BMA · beta-D-mannopyranose
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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