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Name | Beta-3 adrenergic receptor |
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Species | Homo sapiens (Human) |
Gene | ADRB3 |
Synonym | ADRB Adrb-3 adrenergic receptor atypical beta-adrenoceptor beta 3-AR [ Show all ] |
Disease | Urinary incontinence Diabetes Glaucoma Hypertension Irritable bowel syndrome [ Show all ] |
Length | 408 |
Amino acid sequence | MAPWPHENSSLAPWPDLPTLAPNTANTSGLPGVPWEAALAGALLALAVLATVGGNLLVIVAIAWTPRLQTMTNVFVTSLAAADLVMGLLVVPPAATLALTGHWPLGATGCELWTSVDVLCVTASIETLCALAVDRYLAVTNPLRYGALVTKRCARTAVVLVWVVSAAVSFAPIMSQWWRVGADAEAQRCHSNPRCCAFASNMPYVLLSSSVSFYLPLLVMLFVYARVFVVATRQLRLLRGELGRFPPEESPPAPSRSLAPAPVGTCAPPEGVPACGRRPARLLPLREHRALCTLGLIMGTFTLCWLPFFLANVLRALGGPSLVPGPAFLALNWLGYANSAFNPLIYCRSPDFRSAFRRLLCRCGRRLPPEPCAAARPALFPSGVPAARSSPAQPRLCQRLDGASWGVS |
UniProt | P13945 |
Protein Data Bank | N/A |
GPCR-HGmod model | P13945 |
3D structure model | This predicted structure model is from GPCR-EXP P13945. |
BioLiP | N/A |
Therapeutic Target Database | T51408 |
ChEMBL | CHEMBL246 |
IUPHAR | 30 |
DrugBank | BE0001012, BE0004872 |
Name | CHEMBL32590 |
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Molecular formula | C20H18ClNO7-2 |
IUPAC name | 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate |
Molecular weight | 419.814 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 2 |
XlogP | 1.7 |
Synonyms | 5-{2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-benzo[1,3]dioxole-2,2-dicarboxylate anion; disodium disodium 5-[2-[2-(3-chlorophenyl)-2-hydroxyethylamino]-(2R)-propyl]benzo[d][1,3]dioxole-2,2-dicarboxylate(CL 316,243) BDBM50002134 CL-316243 5-{2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-benzo[1,3]dioxole-2,2-dicarboxylic acid;Disodium salt [ Show all ] |
Inchi Key | JEDJMKTVUPSHFW-ABAIWWIYSA-L |
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)/p-2/t11-,15+/m1/s1 |
PubChem CID | 24867844 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50002134 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 1150.0 nM | PMID11277513 | BindingDB |
Ki | 20000.0 nM | PMID11714605 | BindingDB |
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