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Ligand

NameMLS000058307
Molecular formulaC21H28N2O5S
IUPAC name[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
Molecular weight420.524
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.4
SynonymsSMR000063519
[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
AC1MHBU8
MLS001332810
CHEMBL1548195
[ Show all ]
Inchi KeyAFCCVBSTSKZFDS-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H28N2O5S/c1-11-8-17(14(4)23(11)12(2)9-27-7)18(25)10-28-21(26)19-13(3)15(5)29-20(19)22-16(6)24/h8,12H,9-10H2,1-7H3,(H,22,24)
PubChem CID2999467
ChEMBLCHEMBL1548195
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
4029Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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