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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-1 receptor
Species	Homo sapiens (Human)
Gene	EDNRA
Synonym	ET-A ETA-R hET-AR ETA receptor ENDOR endothelin A receptor Endothelin receptor type A {ECO:0000312\|HGNC:HGNC:3179} ET-AR endothelin-1 receptor Gpcr10 [ Show all ]
Disease	Vasospasm following subarachnoid hemorrhage Hormone refractory prostate cancer Hormone resistant prostate cancer Hypertension Hypotension Nerve injury Premature labour Prostate cancer Pulmonary arterial hypertension Pulmonary hypertension Solid tumours Unspecified Heart disease Cerebrovascular disorders Diabetic nephropathy [ Show all ]
Length	427
Amino acid sequence	METLCLRASFWLALVGCVISDNPERYSTNLSNHVDDFTTFRGTELSFLVTTHQPTNLVLPSNGSMHNYCPQQTKITSAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIASLALGDLIYVVIDLPINVFKLLAGRWPFDHNDFGVFLCKLFPFLQKSSVGITVLNLCALSVDRYRAVASWSRVQGIGIPLVTAIEIVSIWILSFILAIPEAIGFVMVPFEYRGEQHKTCMLNATSKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQRREVAKTVFCLVVIFALCWFPLHLSRILKKTVYNEMDKNRCELLSFLLLMDYIGINLATMNSCINPIALYFVSKKFKNCFQSCLCCCCYQSKSLMTSVPMNGTSIQWKNHDQNNHNTDRSSHKDSMN
UniProt	P25101
Protein Data Bank	N/A
GPCR-HGmod model	P25101
3D structure model	This predicted structure model is from GPCR-EXP P25101.
BioLiP	N/A
Therapeutic Target Database	T23499
ChEMBL	CHEMBL252
IUPHAR	219
DrugBank	BE0000521

Ligand

Name	CHEMBL6543
Molecular formula	C18H19BrN4O2S
IUPAC name	N-(5-bromo-3-ethylpyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
Molecular weight	435.34
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.9
Synonyms	BDBM50422247 SCHEMBL8055551
Inchi Key	AXNXKWXEPIXRQC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H19BrN4O2S/c1-4-14-18(20-11-17(19)21-14)22-26(24,25)16-10-6-7-12-13(16)8-5-9-15(12)23(2)3/h5-11H,4H2,1-3H3,(H,20,22)
PubChem CID	10646522
ChEMBL	CHEMBL6543
IUPHAR	N/A
BindingDB	50422247
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	2511.89 nM	PMID9083490	ChEMBL
IC50	2512.0 nM	PMID9083490	BindingDB
Inhibition	68.0 %	PMID9083490	ChEMBL

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