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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL58531
Molecular formula	C30H36ClNO9
IUPAC name	bis(oxolan-2-ylmethyl) 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate
Molecular weight	590.066
Hydrogen bond acceptor	10
Hydrogen bond donor	2
XlogP	4.2
Synonyms	5-{(2R)-2-[(2R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-benzo[1,3]dioxole-2,2-dicarboxylic aicd bis-(tetrahydro-furan-2-ylmethyl) ester FPSHVGKMJDSSCL-ONCCDENISA-N 5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid bis(tetrahydrofuran-2-ylmethyl) ester
Inchi Key	FPSHVGKMJDSSCL-ONCCDENISA-N
Inchi ID	InChI=1S/C30H36ClNO9/c1-19(32-16-25(33)21-5-2-6-22(31)15-21)13-20-9-10-26-27(14-20)41-30(40-26,28(34)38-17-23-7-3-11-36-23)29(35)39-18-24-8-4-12-37-24/h2,5-6,9-10,14-15,19,23-25,32-33H,3-4,7-8,11-13,16-18H2,1H3/t19-,23?,24?,25+,30?/m1/s1
PubChem CID	44300267
ChEMBL	CHEMBL58531
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Response	24.0 %	PMID10450954	ChEMBL

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