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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	CHEMBL319679
Molecular formula	C33H29NO4
IUPAC name	(4-tert-butylphenyl)methyl 2-acridin-9-yl-2-(1,3-benzodioxol-5-yl)acetate
Molecular weight	503.598
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	8.0
Synonyms	Acridin-9-yl-benzo[1,3]dioxol-5-yl-acetic acid 4-tert-butyl-benzyl ester BDBM50288555
Inchi Key	AMWHTWLJFCHTAT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C33H29NO4/c1-33(2,3)23-15-12-21(13-16-23)19-36-32(35)30(22-14-17-28-29(18-22)38-20-37-28)31-24-8-4-6-10-26(24)34-27-11-7-5-9-25(27)31/h4-18,30H,19-20H2,1-3H3
PubChem CID	44332776
ChEMBL	CHEMBL319679
IUPHAR	N/A
BindingDB	50288555
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<25000.0 nM	, Bioorg. Med. Chem. Lett., (1996) 6:24:2999	BindingDB,ChEMBL

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