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Ligand

NameMLS001030841
Molecular formulaC29H31N3O3S
IUPAC name5-[(2-methylphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide
Molecular weight501.645
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.2
SynonymsSMR000635037
5-[(2-methylphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide
AC1NONP3
MLS003882268
CHEMBL1585038
[ Show all ]
Inchi KeyBKZWTDSEUPHOEH-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H31N3O3S/c1-21-7-2-3-8-23(21)20-32-25-19-22(28(33)30-13-6-14-31-15-17-35-18-16-31)11-12-27(25)36-26-10-5-4-9-24(26)29(32)34/h2-5,7-12,19H,6,13-18,20H2,1H3,(H,30,33)
PubChem CID5091342
ChEMBLCHEMBL1585038
IUPHARN/A
BindingDB62147
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
26337Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
26338Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
26336Neuropeptides B/W receptor type 1P48145NPBWR1Homo sapiens (Human)328

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