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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	184040-74-2
Molecular formula	C9H7ClN2O5S2
IUPAC name	3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylic acid
Molecular weight	322.734
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	1.8
Synonyms	3-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiophene-2-carboxylic acid AK-79759 CHEMBL67664 N-(4-chloro-3-methyl-5-isoxazolyl)-3-sulfamoyl-2-thiophenecarboxylic acid 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylic Acid AX8237584 DTXSID20445212 TC-157098 9628AA BFHXYQAPYRDEDW-UHFFFAOYSA-N KS-00000QK0 3-(N-(4-Chloro-3-methylisoxazol-5-yl)sulfamoyl)-thiophene-2-carboxylic acid AKOS015909969 CS-M1004 SCHEMBL2842500 3-[(4-chloro-3-methyl-5-isoxazolyl)sulfamoyl]-2-thiophenecarboxylic acid BCP12517 I14-32198 ZINC13815570 2-Thiophenecarboxylicacid, 3-[[(4-chloro-3-methyl-5-isoxazolyl)amino]sulfonyl]- ACM184040742 MolPort-023-333-592 3-(N-(4-Chloro-3-methylisoxazol-5-yl)sulfamoyl)thiophene-2-carboxylic acid ANW-68353 CTK8C2411 ST24041634 BDBM50289942 KB-69961 [(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylic acid [ Show all ]
Inchi Key	BFHXYQAPYRDEDW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H7ClN2O5S2/c1-4-6(10)8(17-11-4)12-19(15,16)5-2-3-18-7(5)9(13)14/h2-3,12H,1H3,(H,13,14)
PubChem CID	10805820
ChEMBL	CHEMBL67664
IUPHAR	N/A
BindingDB	50289942
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	1060.0 nM	, Bioorg. Med. Chem. Lett., (1997) 7:16:2093	BindingDB,ChEMBL

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