| Reaction Details |
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 | Report a problem with these data |
| Target | Beta-1/Beta-2/Beta-3 adrenergic receptor |
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| Ligand | BDBM50187377 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_357781 (CHEMBL859038) |
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| Ki | >2000±n/a nM |
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| Citation |  Becker, OM; Dhanoa, DS; Marantz, Y; Chen, D; Shacham, S; Cheruku, S; Heifetz, A; Mohanty, P; Fichman, M; Sharadendu, A; Nudelman, R; Kauffman, M; Noiman, S An integrated in silico 3D model-driven discovery of a novel, potent, and selective amidosulfonamide 5-HT1A agonist (PRX-00023) for the treatment of anxiety and depression. J Med Chem49:3116-35 (2006) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Beta-1/Beta-2/Beta-3 adrenergic receptor |
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| Name: | Beta-1/Beta-2/Beta-3 adrenergic receptor |
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| Synonyms: | Adrenergic receptor beta |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of ChEMBL is 305577 |
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| Components: | This complex has 3 components. |
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| Component 1 |
| Name: | Beta-2 adrenergic receptor |
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| Synonyms: | ADRB2 | ADRB2R | ADRB2_HUMAN | B2AR | Beta-2 adrenoceptor | Beta-2 adrenoreceptor |
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| Type: | n/a |
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| Mol. Mass.: | 46461.69 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P07550 |
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| Residue: | 413 |
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| Sequence: | MGQPGNGSAFLLAPNGSHAPDHDVTQERDEVWVVGMGIVMSLIVLAIVFGNVLVITAIAK
FERLQTVTNYFITSLACADLVMGLAVVPFGAAHILMKMWTFGNFWCEFWTSIDVLCVTAS
IETLCVIAVDRYFAITSPFKYQSLLTKNKARVIILMVWIVSGLTSFLPIQMHWYRATHQE
AINCYANETCCDFFTNQAYAIASSIVSFYVPLVIMVFVYSRVFQEAKRQLQKIDKSEGRF
HVQNLSQVEQDGRTGHGLRRSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQD
NLIRKEVYILLNWIGYVNSGFNPLIYCRSPDFRIAFQELLCLRRSSLKAYGNGYSSNGNT
GEQSGYHVEQEKENKLLCEDLPGTEDFVGHQGTVPSDNIDSQGRNCSTNDSLL
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| Component 2 |
| Name: | Beta-1 adrenergic receptor |
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| Synonyms: | ADRB1 | ADRB1R | ADRB1_HUMAN | B1AR | Beta-1 adrenoceptor | Beta-1 adrenoreceptor | adrenergic Beta1 |
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| Type: | G Protein-Coupled Receptor (GPCR) |
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| Mol. Mass.: | 51338.40 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P08588 |
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| Residue: | 477 |
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| Sequence: | MGAGVLVLGASEPGNLSSAAPLPDGAATAARLLVPASPPASLLPPASESPEPLSQQWTAG
MGLLMALIVLLIVAGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVV
WGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITSPFRYQSLLTRARARGLVC
TVWAISALVSFLPILMHWWRAESDEARRCYNDPKCCDFVTNRAYAIASSVVSFYVPLCIM
AFVYLRVFREAQKQVKKIDSCERRFLGGPARPPSPSPSPVPAPAPPPGPPRPAAAAATAP
LANGRAGKRRPSRLVALREQKALKTLGIIMGVFTLCWLPFFLANVVKAFHRELVPDRLFV
FFNWLGYANSAFNPIIYCRSPDFRKAFQGLLCCARRAARRRHATHGDRPRASGCLARPGP
PPSPGAASDDDDDDVVGATPPARLLEPWAGCNGGAAADSDSSLDEPCRPGFASESKV
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| Component 3 |
| Name: | Beta-3 adrenergic receptor |
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| Synonyms: | ADRB3 | ADRB3R | ADRB3_HUMAN | B3AR | Beta-2 adrenergic receptor and beta-3 adrenergic receptor | Beta-3 adrenoceptor | Beta-3 adrenoreceptor | adrenergic Beta3 |
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| Type: | G Protein-Coupled Receptor (GPCR) |
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| Mol. Mass.: | 43534.88 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 408 |
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| Sequence: | MAPWPHENSSLAPWPDLPTLAPNTANTSGLPGVPWEAALAGALLALAVLATVGGNLLVIV
AIAWTPRLQTMTNVFVTSLAAADLVMGLLVVPPAATLALTGHWPLGATGCELWTSVDVLC
VTASIETLCALAVDRYLAVTNPLRYGALVTKRCARTAVVLVWVVSAAVSFAPIMSQWWRV
GADAEAQRCHSNPRCCAFASNMPYVLLSSSVSFYLPLLVMLFVYARVFVVATRQLRLLRG
ELGRFPPEESPPAPSRSLAPAPVGTCAPPEGVPACGRRPARLLPLREHRALCTLGLIMGT
FTLCWLPFFLANVLRALGGPSLVPGPAFLALNWLGYANSAFNPLIYCRSPDFRSAFRRLL
CRCGRRLPPEPCAAARPALFPSGVPAARSSPAQPRLCQRLDGASWGVS
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| BDBM50187377 |
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| n/a |
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| Name | BDBM50187377 |
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| Synonyms: | CHEMBL209821 | N-(3-(4-(4-(cyclohexylmethylsulfonamido)butyl)piperazin-1-yl)phenyl)acetamide | N-{3-[4-(4-cyclohexylmethanesulfonylamino-butyl)-piperazin-1-yl]-phenyl}-acetamide |
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| Type | Small organic molecule |
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| Emp. Form. | C23H38N4O3S |
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| Mol. Mass. | 450.638 |
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| SMILES | CC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)CC2CCCCC2)CC1 |
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| Structure | 
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