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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Endothelin receptor type B
Species	Homo sapiens (Human)
Gene	EDNRB
Synonym	endothelin B receptor HSCR2 HSCR ETB receptor ET-BR ET-B Endothelin receptor non-selective type [ Show all ]
Disease	Arrhythmia Hypertension Pulmonary arterial hypertension Solid tumours Cancer Cardiovascular disorder [ Show all ]
Length	442
Amino acid sequence	MQPPPSLCGRALVALVLACGLSRIWGEERGFPPDRATPLLQTAEIMTPPTKTLWPKGSNASLARSLAPAEVPKGDRTAGSPPRTISPPPCQGPIEIKETFKYINTVVSCLVFVLGIIGNSTLLRIIYKNKCMRNGPNILIASLALGDLLHIVIDIPINVYKLLAEDWPFGAEMCKLVPFIQKASVGITVLSLCALSIDRYRAVASWSRIKGIGVPKWTAVEIVLIWVVSVVLAVPEAIGFDIITMDYKGSYLRICLLHPVQKTAFMQFYKTAKDWWLFSFYFCLPLAITAFFYTLMTCEMLRKKSGMQIALNDHLKQRREVAKTVFCLVLVFALCWLPLHLSRILKLTLYNQNDPNRCELLSFLLVLDYIGINMASLNSCINPIALYLVSKRFKNCFKSCLCCWCQSFEEKQSLEEKQSCLKFKANDHGYDNFRSSNKYSSS
UniProt	P24530
Protein Data Bank	6igl, 6igk, 5xpr, 5x93
GPCR-HGmod model	P24530
3D structure model	This structure is from PDB ID 6igl.
BioLiP	BL0388813, BL0433639, BL0433638, BL0388896, BL0388814
Therapeutic Target Database	T92828
ChEMBL	CHEMBL1785
IUPHAR	220
DrugBank	BE0000043

Ligand

Name	GSK137647A
Molecular formula	C16H19NO3S
IUPAC name	4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
Molecular weight	305.392
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.5
Synonyms	FT-0700296 KS-00000TIW Oprea1_545891 [(4-methoxyphenyl)sulfonyl](2,4,6-trimethylphenyl)amine AJ-292/14925630 BIM-0012523.P001 MolPort-000-626-674 SR-01000478738 349085-82-1 AOB2991 EU-0076636 J-690285 NCGC00387253-02 STK899558 BCP17136 GSK 137647 MCULE-5583867808 SCHEMBL19357604 AK240703 CB15818 CHEMBL3311308 GSK137647A, >=98% (HPLC) N-mesityl-4-methoxy-1-benzenesulfonamide SR-01000478738-1 4-methoxy-N-(2,4,6-trimethylphenyl)benzene-1-sulfonamide AS-16737 EX-A1097 KB-3356964 Oprea1_349531 ZINC184126 AC1LEYMC BDBM50044849 GSK-137647A MFCD02007969 SMSF0014079 AKOS003261220 CBMicro_012617 CS-5549 HY-19995 N-mesityl-4-methoxybenzenesulfonamide ST50719559 4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide B7793 [ Show all ]
Inchi Key	FQUAFMNPXPXOJE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H19NO3S/c1-11-9-12(2)16(13(3)10-11)17-21(18,19)15-7-5-14(20-4)6-8-15/h5-10,17H,1-4H3
PubChem CID	743974
ChEMBL	CHEMBL3311308
IUPHAR	N/A
BindingDB	50044849
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<50118.7 nM	PMID24881566	ChEMBL
EC50	>50119.0 nM	PMID24881566	BindingDB

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