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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	CHEMBL347982
Molecular formula	C22H25N3O4S
IUPAC name	N-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(2-methylpropyl)phenyl]formamide
Molecular weight	427.519
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.4
Synonyms	BDBM50068717 FKVOCBWXIVWZAI-UHFFFAOYSA-N 2''-Formylamino-4''-isobutyl-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide SCHEMBL6773347 n-(3,4-dimethyl-5-isoxazolyl)-2'-(formylamino)-4'-(2-methylpropyl)[1,1'-biphenyl]-2-sulfonamide N-(3,4-Dimethylisoxazole-5-yl)-2'-(formylamino)-4'-(2-methylpropyl)-1,1'-biphenyl-2-sulfonamide [ Show all ]
Inchi Key	FKVOCBWXIVWZAI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H25N3O4S/c1-14(2)11-17-9-10-18(20(12-17)23-13-26)19-7-5-6-8-21(19)30(27,28)25-22-15(3)16(4)24-29-22/h5-10,12-14,25H,11H2,1-4H3,(H,23,26)
PubChem CID	10741144
ChEMBL	CHEMBL347982
IUPHAR	N/A
BindingDB	50068717
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	17.0 nM	PMID9857090	BindingDB,ChEMBL

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