Reaction Details |
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Target | Beta-1/Beta-2/Beta-3 adrenergic receptor |
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Ligand | BDBM50289292 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_38572 (CHEMBL652074) |
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Ki | >10000±n/a nM |
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Citation | Calligaro, DO; Fairhurst, J; Hotten, TM; Moore, NA; Tupper, DE The synthesis and biological activity of some known and putative metabolites of the atypical antipsychotic agent olanzapine (LY170053) Bioorg Med Chem Lett7:25-30 (1997) 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 |
Synonyms: | Adrenergic receptor beta |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of ChEMBL is 305577 |
Components: | This complex has 3 components. |
Component 1 |
Name: | Beta-2 adrenergic receptor |
Synonyms: | ADRB2 | ADRB2R | ADRB2_HUMAN | B2AR | Beta-2 adrenoceptor | Beta-2 adrenoreceptor |
Type: | n/a |
Mol. Mass.: | 46461.69 |
Organism: | Homo sapiens (Human) |
Description: | P07550 |
Residue: | 413 |
Sequence: | MGQPGNGSAFLLAPNGSHAPDHDVTQERDEVWVVGMGIVMSLIVLAIVFGNVLVITAIAK
FERLQTVTNYFITSLACADLVMGLAVVPFGAAHILMKMWTFGNFWCEFWTSIDVLCVTAS
IETLCVIAVDRYFAITSPFKYQSLLTKNKARVIILMVWIVSGLTSFLPIQMHWYRATHQE
AINCYANETCCDFFTNQAYAIASSIVSFYVPLVIMVFVYSRVFQEAKRQLQKIDKSEGRF
HVQNLSQVEQDGRTGHGLRRSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQD
NLIRKEVYILLNWIGYVNSGFNPLIYCRSPDFRIAFQELLCLRRSSLKAYGNGYSSNGNT
GEQSGYHVEQEKENKLLCEDLPGTEDFVGHQGTVPSDNIDSQGRNCSTNDSLL
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Component 2 |
Name: | Beta-1 adrenergic receptor |
Synonyms: | ADRB1 | ADRB1R | ADRB1_HUMAN | B1AR | Beta-1 adrenoceptor | Beta-1 adrenoreceptor | adrenergic Beta1 |
Type: | G Protein-Coupled Receptor (GPCR) |
Mol. Mass.: | 51338.40 |
Organism: | Homo sapiens (Human) |
Description: | P08588 |
Residue: | 477 |
Sequence: | MGAGVLVLGASEPGNLSSAAPLPDGAATAARLLVPASPPASLLPPASESPEPLSQQWTAG
MGLLMALIVLLIVAGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVV
WGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITSPFRYQSLLTRARARGLVC
TVWAISALVSFLPILMHWWRAESDEARRCYNDPKCCDFVTNRAYAIASSVVSFYVPLCIM
AFVYLRVFREAQKQVKKIDSCERRFLGGPARPPSPSPSPVPAPAPPPGPPRPAAAAATAP
LANGRAGKRRPSRLVALREQKALKTLGIIMGVFTLCWLPFFLANVVKAFHRELVPDRLFV
FFNWLGYANSAFNPIIYCRSPDFRKAFQGLLCCARRAARRRHATHGDRPRASGCLARPGP
PPSPGAASDDDDDDVVGATPPARLLEPWAGCNGGAAADSDSSLDEPCRPGFASESKV
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Component 3 |
Name: | Beta-3 adrenergic receptor |
Synonyms: | ADRB3 | ADRB3R | ADRB3_HUMAN | B3AR | Beta-2 adrenergic receptor and beta-3 adrenergic receptor | Beta-3 adrenoceptor | Beta-3 adrenoreceptor | adrenergic Beta3 |
Type: | G Protein-Coupled Receptor (GPCR) |
Mol. Mass.: | 43534.88 |
Organism: | Homo sapiens (Human) |
Description: | n/a |
Residue: | 408 |
Sequence: | MAPWPHENSSLAPWPDLPTLAPNTANTSGLPGVPWEAALAGALLALAVLATVGGNLLVIV
AIAWTPRLQTMTNVFVTSLAAADLVMGLLVVPPAATLALTGHWPLGATGCELWTSVDVLC
VTASIETLCALAVDRYLAVTNPLRYGALVTKRCARTAVVLVWVVSAAVSFAPIMSQWWRV
GADAEAQRCHSNPRCCAFASNMPYVLLSSSVSFYLPLLVMLFVYARVFVVATRQLRLLRG
ELGRFPPEESPPAPSRSLAPAPVGTCAPPEGVPACGRRPARLLPLREHRALCTLGLIMGT
FTLCWLPFFLANVLRALGGPSLVPGPAFLALNWLGYANSAFNPLIYCRSPDFRSAFRRLL
CRCGRRLPPEPCAAARPALFPSGVPAARSSPAQPRLCQRLDGASWGVS
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BDBM50289292 |
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n/a |
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Name | BDBM50289292 |
Synonyms: | 2-Methyl-10-(4-methyl-4-oxy-piperazin-1-yl)-4H-3-thia-4,9-diaza-benzo[f]azulene | CHEMBL440512 |
Type | Small organic molecule |
Emp. Form. | C17H20N4OS |
Mol. Mass. | 328.432 |
SMILES | Cc1cc2c(Nc3ccccc3N=C2N2CC[N+](C)([O-])CC2)s1 |c:13| |
Structure |
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