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GLASS

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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	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	4.5 nM	PMID9171877	BindingDB,ChEMBL

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