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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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GPCR

Name	Endothelin-1 receptor
Species	Rattus norvegicus (Rat)
Gene	Ednra
Synonym	endothelin A receptor Endothelin receptor type A {ECO:0000312\|RGD:2535} ENDOR endothelin-1 receptor ET-A ET-AR ETA receptor Gpcr10 [ Show all ]
Disease	N/A for non-human GPCRs
Length	426
Amino acid sequence	MGVLCFLASFWLALVGGAIADNAERYSANLSSHVEDFTPFPGTEFNFLGTTLQPPNLALPSNGSMHGYCPQQTKITTAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIASLALGDLIYVVIDLPINVFKLLAGRWPFDHNDFGVFLCKLFPFLQKSSVGITVLNLCALSVDRYRAVASWSRVQGIGIPLITAIEIVSIWILSFILAIPEAIGFVMVPFEYKGEQHRTCMLNATTKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQRREVAKTVFCLVVIFALCWFPLHLSRILKKTVYDEMDKNRCELLSFLLLMDYIGINLATMNSCINPIALYFVSKKFKNCFQSCLCCCCHQSKSLMTSVPMNGTSIQWKNQEQNHNTERSSHKDSMN
UniProt	P26684
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	CHEMBL4566
IUPHAR	219
DrugBank	N/A

Ligand

Name	CHEMBL3400984
Molecular formula	C25H24O5
IUPAC name	4-(2-acetyl-5-phenylmethoxyphenoxy)-4-phenylbutanoic acid
Molecular weight	404.462
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.4
Synonyms	BDBM50063999 SCHEMBL7907678
Inchi Key	GWPUVRXZIAEMEQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H24O5/c1-18(26)22-13-12-21(29-17-19-8-4-2-5-9-19)16-24(22)30-23(14-15-25(27)28)20-10-6-3-7-11-20/h2-13,16,23H,14-15,17H2,1H3,(H,27,28)
PubChem CID	22010352
ChEMBL	CHEMBL3400984
IUPHAR	N/A
BindingDB	50063999
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	12.0 nM	PMID25614116	BindingDB,ChEMBL
Inhibition	58.2 %	PMID25614116	ChEMBL

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