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Ligand

NameSMR001217205
Molecular formulaC28H37F3N2O7S
IUPAC namemethyl (3aS,4S,9aS,9bR)-4-(4-hexylsulfanyl-3-methoxyphenyl)-2-methyl-1,3-dioxo-4,6,7,8,9,9b-hexahydro-3aH-pyrrolo[3,4-a]indolizine-9a-carboxylate;2,2,2-trifluoroacetic acid
Molecular weight602.666
Hydrogen bond acceptor12
Hydrogen bond donor1
XlogPNone
SynonymsMLS001362212
MLS003117834
CHEMBL1573441
HMS2202G04
Inchi KeyAGHYRZUGTOPVQT-FKHNWUCXSA-N
Inchi IDInChI=1S/C26H36N2O5S.C2HF3O2/c1-5-6-7-10-15-34-19-12-11-17(16-18(19)32-3)22-20-21(24(30)27(2)23(20)29)26(25(31)33-4)13-8-9-14-28(22)26;3-2(4,5)1(6)7/h11-12,16,20-22H,5-10,13-15H2,1-4H3;(H,6,7)/t20-,21-,22+,26-;/m0./s1
PubChem CID24982715
ChEMBLCHEMBL1573441
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
4895Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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