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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL45760
Molecular formula	C19H20BrN3O4S2
IUPAC name	3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-butylphenyl)thiophene-2-carboxamide
Molecular weight	498.41
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	5.0
Synonyms	SCHEMBL6151186 BDBM50058110 N-(4-Butylphenyl)-3-[(4-bromo-3-methylisoxazol-5-yl)sulfamoyl]-2-thiophenecarboxamide 3-(4-Bromo-3-methyl-isoxazol-5-ylsulfamoyl)-thiophene-2-carboxylic acid (4-butyl-phenyl)-amide
Inchi Key	BUPZNIYUBICILZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H20BrN3O4S2/c1-3-4-5-13-6-8-14(9-7-13)21-18(24)17-15(10-11-28-17)29(25,26)23-19-16(20)12(2)22-27-19/h6-11,23H,3-5H2,1-2H3,(H,21,24)
PubChem CID	10577255
ChEMBL	CHEMBL45760
IUPHAR	N/A
BindingDB	50058110
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	6170.0 nM	PMID9171877	BindingDB,ChEMBL

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