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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	CHEMBL328786
Molecular formula	C20H15NO5S
IUPAC name	(E)-3-[2-nitro-5-(thiophen-3-ylmethoxy)phenyl]-2-phenylprop-2-enoic acid
Molecular weight	381.402
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.5
Synonyms	(E)-6'-Nitro-3'-(3-thienylmethoxy)stilbene-alpha-carboxylic acid (E)-3-[2-Nitro-5-(thiophen-3-ylmethoxy)-phenyl]-2-phenyl-acrylic acid BDBM50065528
Inchi Key	AGOVSIKFPHYVCX-WOJGMQOQSA-N
Inchi ID	InChI=1S/C20H15NO5S/c22-20(23)18(15-4-2-1-3-5-15)11-16-10-17(6-7-19(16)21(24)25)26-12-14-8-9-27-13-14/h1-11,13H,12H2,(H,22,23)/b18-11+
PubChem CID	10714851
ChEMBL	CHEMBL328786
IUPHAR	N/A
BindingDB	50065528
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	500.0 nM	PMID9667965	BindingDB,ChEMBL

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