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GLASS

You can:

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 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	CHEMBL300066
Molecular formula	C24H27N3O4S2
IUPAC name	4-tert-butyl-N-[5-(3-cyanopropyl)-4-(3-methoxyphenyl)sulfanyl-1,2-oxazol-3-yl]benzenesulfonamide
Molecular weight	485.617
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	5.3
Synonyms	3-(4-tert-Butylphenylsulfonylamino)-4-(3-methoxyphenylthio)isoxazole-5-butanenitrile BDBM50091539 4-tert-Butyl-N-[5-(3-cyano-propyl)-4-(3-methoxy-phenylsulfanyl)-isoxazol-3-yl]-benzenesulfonamide
Inchi Key	CAWAINHZBODTLN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H27N3O4S2/c1-24(2,3)17-11-13-20(14-12-17)33(28,29)27-23-22(21(31-26-23)10-5-6-15-25)32-19-9-7-8-18(16-19)30-4/h7-9,11-14,16H,5-6,10H2,1-4H3,(H,26,27)
PubChem CID	44298343
ChEMBL	CHEMBL300066
IUPHAR	N/A
BindingDB	50091539
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	520.0 nM	PMID10969989	BindingDB,ChEMBL

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