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Ligand

NameMLS003130160
Molecular formulaC26H34N2O5S
IUPAC nameN-[[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(2-methylphenyl)-1,1-dioxo-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-N-methylcyclopropanecarboxamide
Molecular weight486.627
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.4
SynonymsCHEMBL1978672
SMR001834606
BRD-K05458033-001-01-9
BRD-K05458033-001-02-7
Inchi KeyAEBIAWZHDKLWPF-AXHZCLLHSA-N
Inchi IDInChI=1S/C26H34N2O5S/c1-17-7-5-6-8-22(17)21-11-12-25-23(13-21)33-24(15-27(4)26(30)20-9-10-20)18(2)14-28(19(3)16-29)34(25,31)32/h5-8,11-13,18-20,24,29H,9-10,14-16H2,1-4H3/t18-,19-,24+/m0/s1
PubChem CID46903558
ChEMBLCHEMBL1978672
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3297Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
463281Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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