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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 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	CHEMBL323789
Molecular formula	C28H38N2O7S
IUPAC name	(2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-[2-[2-methylpropyl(propylsulfonyl)amino]ethyl]pyrrolidine-3-carboxylic acid
Molecular weight	546.679
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	1.9
Synonyms	(2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-{2-[isobutyl-(propane-1-sulfonyl)-amino]-ethyl}-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid BDBM50061106 1-[2-[Isobutyl(propylsulfonyl)amino]ethyl]-2beta-(4-methoxyphenyl)-4beta-(1,3-benzodioxol-5-yl)pyrrolidine-3alpha-carboxylic acid
Inchi Key	BREMXOULYOZQBW-MVNQZMKCSA-N
Inchi ID	InChI=1S/C28H38N2O7S/c1-5-14-38(33,34)30(16-19(2)3)13-12-29-17-23(21-8-11-24-25(15-21)37-18-36-24)26(28(31)32)27(29)20-6-9-22(35-4)10-7-20/h6-11,15,19,23,26-27H,5,12-14,16-18H2,1-4H3,(H,31,32)/t23-,26-,27+/m1/s1
PubChem CID	10230835
ChEMBL	CHEMBL323789
IUPHAR	N/A
BindingDB	50061106
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	62.0 nM	PMID9379441	BindingDB,ChEMBL

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