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Ligand

NameMLS001099132
Molecular formulaC24H21N5O3S2
IUPAC name2-[4-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]sulfonylbenzonitrile
Molecular weight491.584
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP3.9
SynonymsZINC15171063
AKOS001462304
HMS2986K21
MolPort-004-672-530
MCULE-2209008329
[ Show all ]
Inchi KeyACHURCNISHFVCG-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H21N5O3S2/c1-32-19-8-6-17(7-9-19)20-15-33-24-22(20)23(26-16-27-24)28-10-12-29(13-11-28)34(30,31)21-5-3-2-4-18(21)14-25/h2-9,15-16H,10-13H2,1H3
PubChem CID24687469
ChEMBLCHEMBL1442451
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
1586Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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