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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 receptor type B
Species	Sus scrofa (Pig)
Gene	EDNRB
Synonym	Endothelin receptor non-selective type ET-B ET-BR
Disease	N/A for non-human GPCRs
Length	443
Amino acid sequence	MQPLRSLCGRALVALIFACGVAGVQSEERGFPPAGATPPALRTGEIVAPPTKTFWPRGSNASLPRSSSPPQMPKGGRMAGPPARTLTPPPCEGPIEIKDTFKYINTVVSCLVFVLGIIGNSTLLRIIYKNKCMRNGPNILIASLALGDLLHIIIDIPINVYKLLAEDWPFGVEMCKLVPFIQKASVGITVLSLCALSIDRYRAVASWSRIKGIGVPKWTAVEIVLIWVVSVVLAVPEALGFDMITTDYKGNRLRICLLHPTQKTAFMQFYKTAKDWWLFSFYFCLPLAITAFFYTLMTCEMLRKKSGMQIALNDHLKQRREVAKTVFCLVLVFALCWLPLHLSRILKLTLYDQNDSNRCELLSFLLVLDYIGINMASLNSCINPIALYLVSKRFKNCFKSCLCCWCQSFEEKQSLEEKQSCLKFKANDHGYDNFRSSNKYSSS
UniProt	P35463
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	CHEMBL3949
IUPHAR	N/A
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	2-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-4,6-dimethylpyridazin-3-on-2-yl)N-(4-isopropylphenylsulfonyl)acetamide N-[2-Benzo[1,3]dioxol-5-yl-2-(3,5-dimethyl-6-oxo-6H-pyridazin-1-yl)-acetyl]-4-isopropyl-benzenesulfonamide ACOIUSQYQHOULG-UHFFFAOYSA-N 2-(1,3-benzodioxol-5-yl)-2-(4,6-dimethyl-2,3-dihydropyridazin-3-on-2-yl) N-(4-isopropylphenylsulfonyl)acetamide SCHEMBL802448 BDBM50290949 L016332 [ 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	3500.0 nM	, Bioorg. Med. Chem. Lett., (1997) 7:3:275	BindingDB,ChEMBL

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