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Ligand

NameCHEMBL3731346
Molecular formulaC24H28N4O6S
IUPAC nametert-butyl (2R)-2-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]pyrrolidine-1-carboxylate
Molecular weight500.57
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP4.6
SynonymsSCHEMBL16708215
Inchi KeyATRWYCQYGIJKBZ-CQSZACIVSA-N
Inchi IDInChI=1S/C24H28N4O6S/c1-24(2,3)34-23(29)27-8-6-7-14(27)13-32-18-9-15(30-4)10-19-16(18)11-20(33-19)17-12-28-21(25-17)35-22(26-28)31-5/h9-12,14H,6-8,13H2,1-5H3/t14-/m1/s1
PubChem CID118068632
ChEMBLCHEMBL3731346
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
521878Proteinase-activated receptor 4Q96RI0F2RL3Homo sapiens (Human)385

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