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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	VIBEGRON
Molecular formula	C26H28N4O3
IUPAC name	(6S)-N-[4-[[(2S,5R)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]phenyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
Molecular weight	444.535
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	1.8
Synonyms	(6S)-4,6,7,8-Tetrahydro-N-[4-[[(2S,5R)-5-[(R)-hydroxyphenylmethyl]-2-pyrrolidinyl]methyl]phenyl]-4-oxo-pyrrolo[1,2-a]pyrimidine-6-carboxamide CHEBI:142418 MK 4618 Vibegron (JAN/USAN) 1190389-15-1 compound 7 [PMID: 26709102] Pyrrolo(1,2-a)pyrimidine-6-carboxamide, 4,6,7,8-tetrahydro-N-(4-(((2S,5R)-5-((R)-hydroxyphenylmethyl)-2-pyrrolidinyl)methyl)phenyl)-4-oxo-, (6S)- Beova KRP-114V UNII-M5TSE03W5U (6S)-N-(4-(((2S,5R)-5-((R)-Hydroxyphenylmethyl)pyrrolidin-2-yl)methyl)phenyl)-4-oxo-4,6,7,8-tetrahydropyrrolo(1,2-a)pyrimidine-6-carboxamide MK-4618 Vibegron [USAN:INN] D10433 SB16922 Beova (TN) M5TSE03W5U (6S)-N-[4-({(2S,5R)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidin-2-yl}methyl)phenyl]-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxamide CHEMBL2107826 MK4618 vibegronum BDBM50146154 GTPL10100 SCHEMBL11985457 [ Show all ]
Inchi Key	DJXRIQMCROIRCZ-XOEOCAAJSA-N
Inchi ID	InChI=1S/C26H28N4O3/c31-24-14-15-27-23-13-12-22(30(23)24)26(33)29-19-8-6-17(7-9-19)16-20-10-11-21(28-20)25(32)18-4-2-1-3-5-18/h1-9,14-15,20-22,25,28,32H,10-13,16H2,(H,29,33)/t20-,21+,22-,25+/m0/s1
PubChem CID	44472635
ChEMBL	CHEMBL2107826
IUPHAR	N/A
BindingDB	50146154
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	86.0 nM	PMID26709102	BindingDB,ChEMBL
EC50	122.0 nM	PMID26709102	BindingDB,ChEMBL
max activation	83.0 %	PMID26709102	ChEMBL
max activation	89.0 %	PMID26709102	ChEMBL

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