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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 | CHEMBL184407 |
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Molecular formula | C24H27N3O6S3 |
IUPAC name | [3-[(2R)-2-[[(2R)-2-hydroxy-2-[3-(thiophen-2-ylsulfonylamino)phenyl]ethyl]amino]propyl]-1H-indol-7-yl] methanesulfonate |
Molecular weight | 549.675 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 4 |
XlogP | 3.2 |
Synonyms | BDBM50156260 Methanesulfonic acid 3-(2-{(R)-(R)-2-hydroxy-2-[3-(thiophene-2-sulfonylamino)-phenyl]-ethylamino}-propyl)-1H-indol-7-yl ester |
Inchi Key | ATOBZBFTPJRCNY-IERDGZPVSA-N |
Inchi ID | InChI=1S/C24H27N3O6S3/c1-16(12-18-14-26-24-20(18)8-4-9-22(24)33-35(2,29)30)25-15-21(28)17-6-3-7-19(13-17)27-36(31,32)23-10-5-11-34-23/h3-11,13-14,16,21,25-28H,12,15H2,1-2H3/t16-,21+/m1/s1 |
PubChem CID | 11432806 |
ChEMBL | CHEMBL184407 |
IUPHAR | N/A |
BindingDB | 50156260 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 0.21 nM | PMID15546708, PMID21170122, PMID15546707 | ChEMBL |
EC50 | 0.21 nM | PMID15546708, PMID15546707 | BindingDB |
IA | 97.0 % | PMID15546708, PMID15546707 | ChEMBL |
Ki | 4.0 nM | PMID15546708, PMID15546707 | BindingDB,ChEMBL |
Selectivity | 12.0 - | PMID15546707 | ChEMBL |
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