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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	G-protein coupled bile acid receptor 1
Species	Mus musculus (Mouse)
Gene	Gpbar1
Synonym	membrane-type receptor for bile acids M-BAR hGPCR19 GPR131 GPCR19 GPBAR1 GPBA receptor G protein-coupled bile acid receptor 1 BG37 TGR5 [ Show all ]
Disease	N/A for non-human GPCRs
Length	329
Amino acid sequence	MMTPNSTELSAIPMGVLGLSLALASLIVIANLLLALGIALDRHLRSPPAGCFFLSLLLAGLLTGLALPMLPGLWSRNHQGYWSCLLLHLTPNFCFLSLLANLLLVHGERYMAVLQPLRPHGSVRLALFLTWVSSLFFASLPALGWNHWSPDANCSSQAVFPAPYLYLEVYGLLLPAVGATALLSVRVLATAHRQLCEIRRLERAVCRDVPSTLARALTWRQARAQAGATLLFLLCWGPYVATLLLSVLAYERRPPLGPGTLLSLISLGSTSAAAVPVAMGLGDQRYTAPWRTAAQRCLRVLRGRAKRDNPGPSTAYHTSSQCSIDLDLN
UniProt	Q80SS6
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	CHEMBL1255150
IUPHAR	37
DrugBank	N/A

Ligand

Name	CHEMBL3421904
Molecular formula	C70H82Cl4N8O14
IUPAC name	3-[2,5-dichloro-4-[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)pyridin-4-yl]oxyphenyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2,5-dichloro-4-[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)pyridin-4-yl]oxyphenyl]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
Molecular weight	1401.27
Hydrogen bond acceptor	18
Hydrogen bond donor	2
XlogP	7.8
Synonyms	BDBM50081103 J3.552.504A N,N'-[Ethylenebis(oxyethyleneoxyethyleneoxyethyleneoxyethylene)]bis[3-[2,5-dichloro-4-[[3-[[4-cyclopropyl-3,4-dihydroquinoxaline-1(2H)-yl]carbonyl]-4-pyridinyl]oxy]phenyl]propanamide]
Inchi Key	LKFQNWRJVVYLHV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C70H82Cl4N8O14/c71-55-45-65(95-63-17-19-75-47-53(63)69(85)81-25-23-79(51-11-12-51)59-5-1-3-7-61(59)81)57(73)43-49(55)9-15-67(83)77-21-27-87-29-31-89-33-35-91-37-39-93-41-42-94-40-38-92-36-34-90-32-30-88-28-22-78-68(84)16-10-50-44-58(74)66(46-56(50)72)96-64-18-20-76-48-54(64)70(86)82-26-24-80(52-13-14-52)60-6-2-4-8-62(60)82/h1-8,17-20,43-48,51-52H,9-16,21-42H2,(H,77,83)(H,78,84)
PubChem CID	118735268
ChEMBL	CHEMBL3421904
IUPHAR	N/A
BindingDB	50081103
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. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
EC50	12000.0 nM	PMID25710631	BindingDB,ChEMBL

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