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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	MLS001030841
Molecular formula	C29H31N3O3S
IUPAC name	5-[(2-methylphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide
Molecular weight	501.645
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.2
Synonyms	5-[(2-methylphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide CHEMBL1585038 MolPort-007-938-827 HMS2954M17 ZINC20726789 10-(2-methylbenzyl)-N-(3-morpholin-4-ylpropyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide BDBM62147 5-[(2-methylphenyl)methyl]-N-[3-(4-morpholinyl)propyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide cid_5091342 NCGC00140413-01 AC1NONP3 K788-1158 5-[(2-methylphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide MLS003882268 6-keto-5-(2-methylbenzyl)-N-(3-morpholinopropyl)benzo[b][1,4]benzothiazepine-3-carboxamide HMS1915G07 SMR000635037 AKOS002106257 MCULE-7746747172 [ Show all ]
Inchi Key	BKZWTDSEUPHOEH-UHFFFAOYSA-N
Inchi ID	InChI=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 CID	5091342
ChEMBL	CHEMBL1585038
IUPHAR	N/A
BindingDB	62147
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
26337	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
26338	Melanin-concentrating hormone receptor 1	Q99705	MCHR1	Homo sapiens (Human)	422
26336	Neuropeptides B/W receptor type 1	P48145	NPBWR1	Homo sapiens (Human)	328

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