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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	CHEMBL8878
Molecular formula	C25H31NO6
IUPAC name	(2S,3S,4R)-4-(1,3-benzodioxol-5-yl)-1-(2-butoxyethyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
Molecular weight	441.524
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	1.5
Synonyms	(2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-1-(2-butoxy-ethyl)-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid BDBM50051013 1-(2-Butoxyethyl)-2alpha-(4-methoxyphenyl)-4alpha-(1,3-benzodioxol-5-yl)pyrrolidine-3beta-carboxylic acid
Inchi Key	DIUDAQSROUSOQQ-NKKJXINNSA-N
Inchi ID	InChI=1S/C25H31NO6/c1-3-4-12-30-13-11-26-15-20(18-7-10-21-22(14-18)32-16-31-21)23(25(27)28)24(26)17-5-8-19(29-2)9-6-17/h5-10,14,20,23-24H,3-4,11-13,15-16H2,1-2H3,(H,27,28)/t20-,23-,24+/m0/s1
PubChem CID	10789279
ChEMBL	CHEMBL8878
IUPHAR	N/A
BindingDB	50051013
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	3830.0 nM	PMID8676339	BindingDB,ChEMBL

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