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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	Mus musculus (Mouse)
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	MAPWPHRNGSLALWSDAPTLDPSAANTSGLPGVPWAAALAGALLALATVGGNLLVIIAIARTPRLQTITNVFVTSLAAADLVVGLLVMPPGATLALTGHWPLGETGCELWTSVDVLCVTASIETLCALAVDRYLAVTNPLRYGTLVTKRRARAAVVLVWIVSAAVSFAPIMSQWWRVGADAEAQECHSNPRCCSFASNMPYALLSSSVSFYLPLLVMLFVYARVFVVAKRQRHLLRRELGRFSPEESPPSPSRSPSPATGGTPAAPDGVPPCGRRPARLLPLREHRALRTLGLIMGIFSLCWLPFFLANVLRALAGPSLVPSGVFIALNWLGYANSAFNPVIYCRSPDFRDAFRRLLCSYGGRGPEEPRAVTFPASPVEARQSPPLNRFDGYEGARPFPT
UniProt	P25962
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	CHEMBL4030
IUPHAR	30
DrugBank	N/A

Ligand

Name	UNII-52H8DB0TKX
Molecular formula	C20H20ClNO7
IUPAC name	5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid
Molecular weight	421.83
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	0.4
Synonyms	5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid Cl-316243 Free diacid ZINC1493298 1,3-Benzodioxole-2,2-dicarboxylic acid, 5-((2R)-2-(((2R)-2-(3-chlorophenyl)-2-hydroxyethyl)amino)propyl)- AC1NUOLQ GTPL3462 CL 316243 SCHEMBL2345491 5-[(2R)-2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}propyl]-2H-1,3-benzodioxole-2,2-dicarboxylic acid CL316,243 183720-02-7 BDBM25763 Lopac0_000295 5-((2R)-2-(((2R)-2-(3-Chlorophenyl)-2-hydroxyethyl)amino)propyl)-1,3-benzodioxole-2,2-dicarboxylic acid CL-316243 52H8DB0TKX D07WHS CHEMBL1204876 LS-187111 [ Show all ]
Inchi Key	JEDJMKTVUPSHFW-ABAIWWIYSA-N
Inchi ID	InChI=1S/C20H20ClNO7/c1-11(22-10-15(23)13-3-2-4-14(21)9-13)7-12-5-6-16-17(8-12)29-20(28-16,18(24)25)19(26)27/h2-6,8-9,11,15,22-23H,7,10H2,1H3,(H,24,25)(H,26,27)/t11-,15+/m1/s1
PubChem CID	5486546
ChEMBL	N/A
IUPHAR	3462
BindingDB	25763
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	0.158489 - 1.99526 nM	PMID17717109, PMID16601951	IUPHAR
Ki	1258.93 nM	PMID17717109	IUPHAR

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