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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.
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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	CHEMBL1672882
Molecular formula	C51H61FN4O17
IUPAC name	3-(1,3-benzodioxol-5-yl)-4-[[3-[2-[2-[2-[2-[[1-[2-[2-[2-[2-(2-fluoropyridin-3-yl)oxyethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4,5-dimethoxyphenyl]methyl]-5-hydroxy-5-(4-methoxyphenyl)furan-2-one
Molecular weight	1021.06
Hydrogen bond acceptor	21
Hydrogen bond donor	1
XlogP	3.2
Synonyms	BDBM50336696 3-Benzo[1,3]dioxol-5-yl-4-[3-(2-{2-[2-(2-{1-[2-(2-{2-[2-(2-fluoropyridin-3-yloxy)ethoxy]ethoxy}ethoxy)-ethyl]-1H-1,2,3-triazol-4-ylmethoxy}ethoxy)ethoxy]ethoxy}ethoxy)-4,5-dimethoxybenzyl]-5-hydroxy-5-(4-methoxyphenyl)-5H-furan-2-one
Inchi Key	FKMCDNBBXIHJCM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C51H61FN4O17/c1-59-40-9-7-38(8-10-40)51(58)41(47(50(57)73-51)37-6-11-42-44(32-37)72-35-71-42)29-36-30-45(60-2)48(61-3)46(31-36)70-28-26-67-22-20-64-17-18-65-23-24-68-34-39-33-56(55-54-39)13-14-62-15-16-63-19-21-66-25-27-69-43-5-4-12-53-49(43)52/h4-12,30-33,58H,13-29,34-35H2,1-3H3
PubChem CID	51003352
ChEMBL	CHEMBL1672882
IUPHAR	N/A
BindingDB	50336696
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	5340.0 nM	PMID21275367	BindingDB,ChEMBL

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