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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	Beta-3 adrenergic receptor
Species	Rattus norvegicus (Rat)
Gene	Adrb3
Synonym	beta3-adrenoceptor beta3-adrenergic receptor Beta-3 adrenoreceptor Beta-3 adrenoceptor ADRB beta 3-AR atypical beta-adrenoceptor adrenergic receptor Adrb-3 [ Show all ]
Disease	N/A for non-human GPCRs
Length	400
Amino acid sequence	MAPWPHKNGSLAFWSDAPTLDPSAANTSGLPGVPWAAALAGALLALATVGGNLLVITAIARTPRLQTITNVFVTSLATADLVVGLLVMPPGATLALTGHWPLGATGCELWTSVDVLCVTASIETLCALAVDRYLAVTNPLRYGTLVTKRRARAAVVLVWIVSATVSFAPIMSQWWRVGADAEAQECHSNPRCCSFASNMPYALLSSSVSFYLPLLVMLFVYARVFVVAKRQRRLLRRELGRFPPEESPRSPSRSPSPATVGTPTASDGVPSCGRRPARLLPLGEHRALRTLGLIMGIFSLCWLPFFLANVLRALVGPSLVPSGVFIALNWLGYANSAFNPLIYCRSPDFRDAFRRLLCSYGGRGPEEPRVVTFPASPVASRQNSPLNRFDGYEGERPFPT
UniProt	P26255
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	CHEMBL4031
IUPHAR	30
DrugBank	N/A

Ligand

Name	CHEMBL3764088
Molecular formula	C24H26N4O3
IUPAC name	N-[4-[[(2S,5R)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]phenyl]-2-(6-oxopyridazin-1-yl)acetamide
Molecular weight	418.497
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	1.7
Synonyms	BDBM50146156 SCHEMBL11982266
Inchi Key	URLFNGRPGJRFPI-YZUZCNPQSA-N
Inchi ID	InChI=1S/C24H26N4O3/c29-22(16-28-23(30)7-4-14-25-28)27-19-10-8-17(9-11-19)15-20-12-13-21(26-20)24(31)18-5-2-1-3-6-18/h1-11,14,20-21,24,26,31H,12-13,15-16H2,(H,27,29)/t20-,21+,24+/m0/s1
PubChem CID	44472610
ChEMBL	CHEMBL3764088
IUPHAR	N/A
BindingDB	50146156
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	615.0 nM	PMID26709102	BindingDB,ChEMBL
EC50	1064.0 nM	PMID26709102	BindingDB,ChEMBL
max activation	79.0 %	PMID26709102	ChEMBL
max activation	99.0 %	PMID26709102	ChEMBL

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