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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL174229
Molecular formula	C20H15NO4S
IUPAC name	2-[2-cyano-5-(thiophen-3-ylmethoxy)phenoxy]-2-phenylacetic acid
Molecular weight	365.403
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.0
Synonyms	(RS)-[2-Cyano-5-(3-thienylmethoxy)phenoxy]phenylacetic acid BDBM50085852 SCHEMBL8119563 (RS)-[2-Cyano-5-(3-thienylmethoxy)phenoxy]-phenylacetic Acid [2-Cyano-5-(thiophen-3-ylmethoxy)-phenoxy]-phenyl-acetic acid AXRWHVQKSIEFTF-UHFFFAOYSA-N [ Show all ]
Inchi Key	AXRWHVQKSIEFTF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H15NO4S/c21-11-16-6-7-17(24-12-14-8-9-26-13-14)10-18(16)25-19(20(22)23)15-4-2-1-3-5-15/h1-10,13,19H,12H2,(H,22,23)
PubChem CID	9863916
ChEMBL	CHEMBL174229
IUPHAR	N/A
BindingDB	50085852
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	70.0 nM	PMID10715156	BindingDB,ChEMBL

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