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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	CHEMBL1672883
Molecular formula	C46H51FN4O13
IUPAC name	3-(1,3-benzodioxol-5-yl)-4-[[3-[2-[2-[2-[2-[4-[4-(2-fluoropyridin-3-yl)oxybutyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]-4,5-dimethoxyphenyl]methyl]-5-hydroxy-5-(4-methoxyphenyl)furan-2-one
Molecular weight	886.927
Hydrogen bond acceptor	17
Hydrogen bond donor	1
XlogP	5.0
Synonyms	BDBM50336697 3-Benzo[1,3]dioxol-5-yl-4-[3-(2-{2-[2-(2-{4-[4-(2-fluoropyridin-3-yloxy)butyl]-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethoxy}ethoxy)-4,5-dimethoxybenzyl]-5-hydroxy-5-(4-methoxyphenyl)-5H-furan-2-one
Inchi Key	PQUPMJZRSQYJQD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C46H51FN4O13/c1-54-35-12-10-33(11-13-35)46(53)36(42(45(52)64-46)32-9-14-37-39(28-32)63-30-62-37)25-31-26-40(55-2)43(56-3)41(27-31)61-24-23-59-22-21-58-20-19-57-18-16-51-29-34(49-50-51)7-4-5-17-60-38-8-6-15-48-44(38)47/h6,8-15,26-29,53H,4-5,7,16-25,30H2,1-3H3
PubChem CID	51003353
ChEMBL	CHEMBL1672883
IUPHAR	N/A
BindingDB	50336697
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	3.5 nM	PMID21275367	BindingDB,ChEMBL

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