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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	CHEMBL296927
Molecular formula	C20H18ClN3O8S2
IUPAC name	2-[6-[[3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carbonyl]amino]-1,3-benzodioxol-5-yl]ethyl acetate
Molecular weight	527.947
Hydrogen bond acceptor	11
Hydrogen bond donor	2
XlogP	3.1
Synonyms	Acetic acid 2-(6-{[3-(4-chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiophene-2-carbonyl]-amino}-benzo[1,3]dioxol-5-yl)-ethyl ester BDBM50058099 SCHEMBL4632354
Inchi Key	AOMQIATVHQSAEZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H18ClN3O8S2/c1-10-17(21)20(32-23-10)24-34(27,28)16-4-6-33-18(16)19(26)22-13-8-15-14(30-9-31-15)7-12(13)3-5-29-11(2)25/h4,6-8,24H,3,5,9H2,1-2H3,(H,22,26)
PubChem CID	10279940
ChEMBL	CHEMBL296927
IUPHAR	N/A
BindingDB	50058099
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.

Experimental Data

Parameter	Value	Reference	Database source
IC50	25700.0 nM	PMID9171877	BindingDB,ChEMBL

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