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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	Mus musculus (Mouse)
Gene	Ednra
Synonym	ETA receptor ET-AR ET-A endothelin-1 receptor Endothelin receptor type A {ECO:0000312\|MGI:MGI:105923} endothelin A receptor ENDOR Gpcr10 [ Show all ]
Disease	N/A for non-human GPCRs
Length	427
Amino acid sequence	MSIFCLAAYFWLTMVGGVMADNPERYSANLSSHMEDFTPFPGTEINFLGTTHRPPNLALPSNGSMHGYCPQQTKITTAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIASLALGDLIYVVIDLPINVFKLLAGRWPFDHNDFGVFLCKLFPFLQKSSVGITVLNLCALSVDRYRAVASWSRVQGIGIPLITAIEIVSIWILSFILAIPEAIGFVMVPFEYKGELHRTCMLNATSKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQRREVAKTVFCLVVIFALCWFPLHLSRILKKTVYDEMDKNRCELLSFLLLMDYIGINLATMNSCINPIALYFVSKKFKNCFQSCLCCCCHQSKSLMTSVPMNGTSIQWKNQEQNNHNTERSSHKDSMN
UniProt	Q61614
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2286
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL1672884
Molecular formula	C45H49FN4O14S
IUPAC name	N-[[1-[2-[2-[2-[2-[5-[[4-(1,3-benzodioxol-5-yl)-2-hydroxy-2-(4-methoxyphenyl)-5-oxofuran-3-yl]methyl]-2,3-dimethoxyphenoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-4-fluoro-N-methylbenzenesulfonamide
Molecular weight	920.959
Hydrogen bond acceptor	18
Hydrogen bond donor	1
XlogP	3.7
Synonyms	BDBM50336699 N-[1-(2-{2-[2-(2-{5-[4-Benzo[1,3]dioxol-5-yl-2-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydrofuran-3-ylmethyl]-2,3-dimethoxyphenoxy}ethoxy)ethoxy]ethoxy}ethyl)-1H-1,2,3-triazol-4-ylmethyl]-4-fluoro-N-methylbenzenesulfonamide
Inchi Key	WIOFPVOESNSLDC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C45H49FN4O14S/c1-49(65(53,54)36-12-8-33(46)9-13-36)27-34-28-50(48-47-34)15-16-58-17-18-59-19-20-60-21-22-61-41-25-30(24-40(56-3)43(41)57-4)23-37-42(31-5-14-38-39(26-31)63-29-62-38)44(51)64-45(37,52)32-6-10-35(55-2)11-7-32/h5-14,24-26,28,52H,15-23,27,29H2,1-4H3
PubChem CID	51003354
ChEMBL	CHEMBL1672884
IUPHAR	N/A
BindingDB	50336699
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
Ki	3.9 nM	PMID21275367	BindingDB,ChEMBL

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