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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	Mus musculus (Mouse)
Gene	Ednrb
Synonym	endothelin B receptor Endothelin receptor non-selective type ET-B ET-BR ETB receptor HSCR HSCR2 [ Show all ]
Disease	N/A for non-human GPCRs
Length	442
Amino acid sequence	MQSPASRCGRALVALLLACGFLGVWGEKRGFPPAQATLSLLGTKEVMTPPTKTSWTRGSNSSLMRSSAPAEVTKGGRGAGVPPRSFPPPCQRNIEISKTFKYINTIVSCLVFVLGIIGNSTLLRIIYKNKCMRNGPNILIASLALGDLLHIIIDIPINTYKLLAEDWPFGAEMCKLVPFIQKASVGITVLSLCALSIDRYRAVASWSRIKGIGVPKWTAVEIVLIWVVSVVLAVPEAIGFDMITSDYKGKPLRVCMLNPFQKTAFMQFYKTAKDWWLFSFYFCLPLAITAVFYTLMTCEMLRKKSGMQIALNDHLKQRREVAKTVFCLVLVFALCWLPLHLSRILKLTLYDQSNPHRCELLSFLLVLDYIGINMASLNSCINPIALYLVSKRFKNCFKSCLCCWCQTFEEKQSLEEKQSCLKFKANDHGYDNFRSSNKYSSS
UniProt	P48302
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	CHEMBL1681617
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL611626
Molecular formula	C36H34O12S
IUPAC name	3-(1,3-benzodioxol-5-yl)-5-hydroxy-5-[4-[2-(4-methylsulfonylphenoxy)ethoxy]phenyl]-4-[(3,4,5-trimethoxyphenyl)methyl]furan-2-one
Molecular weight	690.716
Hydrogen bond acceptor	12
Hydrogen bond donor	1
XlogP	4.9
Synonyms	2-{4-[4-(Benzo[1,3]dioxol-5-yl)-2-hydroxy-5-oxo-3-(3,4,5-trimethoxybenzyl)-2,5-dihydro-furan-2-yl]phenoxy}ethyl 4-methylbenzenesulfonate BDBM50304495
Inchi Key	HGWHELBDVRUNGP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C36H34O12S/c1-41-31-18-22(19-32(42-2)34(31)43-3)17-28-33(23-5-14-29-30(20-23)47-21-46-29)35(37)48-36(28,38)24-6-8-25(9-7-24)44-15-16-45-26-10-12-27(13-11-26)49(4,39)40/h5-14,18-20,38H,15-17,21H2,1-4H3
PubChem CID	46228118
ChEMBL	CHEMBL611626
IUPHAR	N/A
BindingDB	50304495
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	96.0 nM	PMID19766010	BindingDB,ChEMBL

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