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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	CHEMBL111769
Molecular formula	C26H34N2O7S
IUPAC name	(2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-[ethylsulfonyl(propyl)amino]ethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
Molecular weight	518.625
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	0.9
Synonyms	(2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[2-(ethanesulfonyl-propyl-amino)-ethyl]-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid BDBM50061102 1-[2-[Propyl(ethylsulfonyl)amino]ethyl]-2beta-(4-methoxyphenyl)-4beta-(1,3-benzodioxol-5-yl)pyrrolidine-3alpha-carboxylic acid
Inchi Key	GKCGBBQXEYNYKZ-SDUSCBPUSA-N
Inchi ID	InChI=1S/C26H34N2O7S/c1-4-12-28(36(31,32)5-2)14-13-27-16-21(19-8-11-22-23(15-19)35-17-34-22)24(26(29)30)25(27)18-6-9-20(33-3)10-7-18/h6-11,15,21,24-25H,4-5,12-14,16-17H2,1-3H3,(H,29,30)/t21-,24-,25+/m1/s1
PubChem CID	10142669
ChEMBL	CHEMBL111769
IUPHAR	N/A
BindingDB	50061102
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	95.0 nM	PMID9379441	BindingDB,ChEMBL

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