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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	MLS000553986
Molecular formula	C22H17ClFN5O5S3
IUPAC name	3-chloro-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-6-fluoro-1-benzothiophene-2-carboxamide
Molecular weight	582.036
Hydrogen bond acceptor	11
Hydrogen bond donor	3
XlogP	5.3
Synonyms	BAS 00411315 SMR000171429 3-chloro-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-6-fluoro-1-benzothiophene-2-carboxamide CHEMBL1550812 AC1MJ3Q9 3-chloranyl-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-6-fluoranyl-1-benzothiophene-2-carboxamide BDBM50207 ZINC3094456 3-chloro-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]thiocarbamoyl]-6-fluoro-benzothiophene-2-carboxamide cid_3106024 AKOS000584518 Oprea1_140624 3-chloro-N-[[4-[(2,6-dimethoxy-4-pyrimidinyl)sulfamoyl]anilino]-sulfanylidenemethyl]-6-fluoro-1-benzothiophene-2-carboxamide 4-[3-(3-Chloro-6-fluoro-benzo[b]thiophene-2-carbonyl)-thioureido]-N-(2,6-dimethoxy-pyrimidin-4-yl)-benzenesulfonamide MCULE-9743641591 [ Show all ]
Inchi Key	BLHQRAGSVRXADJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H17ClFN5O5S3/c1-33-17-10-16(26-21(27-17)34-2)29-37(31,32)13-6-4-12(5-7-13)25-22(35)28-20(30)19-18(23)14-8-3-11(24)9-15(14)36-19/h3-10H,1-2H3,(H,26,27,29)(H2,25,28,30,35)
PubChem CID	3106024
ChEMBL	CHEMBL1550812
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

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
26670	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
26668	Prostacyclin receptor	P43119	PTGIR	Homo sapiens (Human)	386
26671	Prostaglandin D2 receptor	Q13258	PTGDR	Homo sapiens (Human)	359
26672	Prostaglandin E2 receptor EP2 subtype	P43116	PTGER2	Homo sapiens (Human)	358
26669	Prostaglandin E2 receptor EP4 subtype	P35408	PTGER4	Homo sapiens (Human)	488

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