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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	MLS000833557
Molecular formula	C21H22ClN5OS
IUPAC name	N-(3-chloro-2-methylphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide
Molecular weight	427.951
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.9
Synonyms	AC1MDU4V MolPort-002-888-678 ZINC1023504 CHEMBL1364108 N-(3-chloro-2-methylphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide MCULE-3834691338 SCHEMBL17456998 BDBM97127 N-(3-chloranyl-2-methyl-phenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide cid_2795769 N1-(3-chloro-2-methylphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide SMR000457078 N-(3-chloro-2-methyl-phenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide HMS2780D07 Oprea1_553117 [ Show all ]
Inchi Key	IZKDAZJREYBVCJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H22ClN5OS/c1-15-17(22)9-5-10-18(15)23-20(28)26-11-6-12-27(14-13-26)21-24-19(25-29-21)16-7-3-2-4-8-16/h2-5,7-10H,6,11-14H2,1H3,(H,23,28)
PubChem CID	2795769
ChEMBL	CHEMBL1364108
IUPHAR	N/A
BindingDB	97127
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
145355	Galanin receptor type 3	O60755	GALR3	Homo sapiens (Human)	368
145356	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463

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