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Ligand

NameMLS001362111
Molecular formulaC28H37F3N2O6S
IUPAC namemethyl (3aR,4S,9aS,9bS)-2-ethyl-4-(4-hexylsulfanylphenyl)-1,3-dioxo-4,6,7,8,9,9b-hexahydro-3aH-pyrrolo[3,4-a]indolizine-9a-carboxylate;2,2,2-trifluoroacetic acid
Molecular weight586.667
Hydrogen bond acceptor11
Hydrogen bond donor1
XlogPNone
SynonymsHMS2199P05
CHEMBL3213970
SMR001217130
Inchi KeyAAJBGBSJHNWVDG-CPNWZACFSA-N
Inchi IDInChI=1S/C26H36N2O4S.C2HF3O2/c1-4-6-7-10-17-33-19-13-11-18(12-14-19)22-20-21(24(30)27(5-2)23(20)29)26(25(31)32-3)15-8-9-16-28(22)26;3-2(4,5)1(6)7/h11-14,20-22H,4-10,15-17H2,1-3H3;(H,6,7)/t20-,21-,22-,26+;/m1./s1
PubChem CID53312927
ChEMBLCHEMBL3213970
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
247Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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