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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	CHEMBL94918
Molecular formula	C24H25N3O6S
IUPAC name	2-(1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-6-oxopyridazin-1-yl)-N-(4-propan-2-ylphenyl)sulfonylacetamide
Molecular weight	483.539
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.3
Synonyms	BDBM50290949 L016332 N-[2-Benzo[1,3]dioxol-5-yl-2-(3,5-dimethyl-6-oxo-6H-pyridazin-1-yl)-acetyl]-4-isopropyl-benzenesulfonamide 2-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-4,6-dimethylpyridazin-3-on-2-yl)N-(4-isopropylphenylsulfonyl)acetamide ACOIUSQYQHOULG-UHFFFAOYSA-N SCHEMBL802448 2-(1,3-benzodioxol-5-yl)-2-(4,6-dimethyl-2,3-dihydropyridazin-3-on-2-yl) N-(4-isopropylphenylsulfonyl)acetamide [ Show all ]
Inchi Key	ACOIUSQYQHOULG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H25N3O6S/c1-14(2)17-5-8-19(9-6-17)34(30,31)26-23(28)22(27-24(29)15(3)11-16(4)25-27)18-7-10-20-21(12-18)33-13-32-20/h5-12,14,22H,13H2,1-4H3,(H,26,28)
PubChem CID	9848132
ChEMBL	CHEMBL94918
IUPHAR	N/A
BindingDB	50290949
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	29.0 nM	, Bioorg. Med. Chem. Lett., (1997) 7:3:275	BindingDB,ChEMBL
Kd	1258.93 nM	Bioorg. Med. Chem. Lett., (1997) 7:3:275	ChEMBL

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