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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	CHEMBL65939
Molecular formula	C31H31NO7
IUPAC name	3-(1,3-benzodioxol-5-yl)-5-hydroxy-5-(4-methoxyphenyl)-4-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]furan-2-one
Molecular weight	529.589
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	4.5
Synonyms	3-(1,3-Benzodioxole-5-yl)-4-[3-(2-pyrrolizinoethoxy)benzyl]-5-hydroxy-5-(4-methoxyphenyl)-2(5H)-furanone BDBM50077937 SCHEMBL7956503 3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phenyl)-4-[3-(2-pyrrolidin-1-yl-ethoxy)-benzyl]-5H-furan-2-one
Inchi Key	BCGHSMJUTFDZQE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C31H31NO7/c1-35-24-10-8-23(9-11-24)31(34)26(29(30(33)39-31)22-7-12-27-28(19-22)38-20-37-27)18-21-5-4-6-25(17-21)36-16-15-32-13-2-3-14-32/h4-12,17,19,34H,2-3,13-16,18,20H2,1H3
PubChem CID	10673756
ChEMBL	CHEMBL65939
IUPHAR	N/A
BindingDB	50077937
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	10.0 nM	PMID10377221	BindingDB,ChEMBL

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