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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	CHEMBL306218
Molecular formula	C21H20N2O4
IUPAC name	3-methoxy-2-(4-methylpyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid
Molecular weight	364.401
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.4
Synonyms	3-methoxy-2-[(4-methylpyrimidin-2-yl)oxy]-3,3-diphenylpropanoic acid HMS2843E10 AC1NP1UH MolPort-002-937-635 3-Methoxy-2-(4-methyl-pyrimidin-2-yloxy)-3,3-diphenyl-propionic acid 3-Methoxy-3,3-diphenyl-2-[(4-methylpyrimidin-2-yl)oxy]propanoic acid MCULE-3842146851 AKOS005385984 SMR000503066 3-methoxy-2-(4-methylpyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid MLS001195209 BDBM50050810 STK055081 [ Show all ]
Inchi Key	AIHUUIAJRNWVGQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H20N2O4/c1-15-13-14-22-20(23-15)27-18(19(24)25)21(26-2,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14,18H,1-2H3,(H,24,25)
PubChem CID	5122650
ChEMBL	CHEMBL306218
IUPHAR	N/A
BindingDB	50050810
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	19.0 nM	PMID8667356	BindingDB,ChEMBL

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