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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	CHEMBL149050
Molecular formula	C20H22N2O5S2
IUPAC name	N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-ylsulfonylphenyl)benzenesulfonamide
Molecular weight	434.525
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.4
Synonyms	BDBM50068733 4''-(Propane-2-sulfonyl)-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
Inchi Key	BACQXHYPRKBLQD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H22N2O5S2/c1-13(2)28(23,24)17-11-9-16(10-12-17)18-7-5-6-8-19(18)29(25,26)22-20-14(3)15(4)21-27-20/h5-13,22H,1-4H3
PubChem CID	10598958
ChEMBL	CHEMBL149050
IUPHAR	N/A
BindingDB	50068733
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	110.0 nM	PMID9857090	BindingDB,ChEMBL

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