Reaction Details |
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Target | Beta-1/Beta-2/Beta-3 adrenergic receptor |
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Ligand | BDBM96235 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_39017 (CHEMBL652670) |
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IC50 | 98±n/a nM |
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Citation | Masubuchi, M; Kawasaki, K; Ebiike, H; Ikeda, Y; Tsujii, S; Sogabe, S; Fujii, T; Sakata, K; Shiratori, Y; Aoki, Y; Ohtsuka, T; Shimma, N Design and synthesis of novel benzofurans as a new class of antifungal agents targeting fungal N-myristoyltransferase. Part 1. Bioorg Med Chem Lett11:1833-7 (2001) [PubMed] |
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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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BDBM96235 |
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n/a |
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Name | BDBM96235 |
Synonyms: | 4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-coumarilic acid ethyl ester;hydrochloride | 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl-2-benzofurancarboxylic acid ethyl ester;hydrochloride | CHEMBL53849 | MLS000039218 | Non peptidic, 1 | SMR000036354 | cid_6602742 | ethyl 3-methyl-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-1-benzofuran-2-carboxylate;hydrochloride | ethyl 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl-1-benzofuran-2-carboxylate;hydrochloride |
Type | Small organic molecule |
Emp. Form. | C18H25NO5 |
Mol. Mass. | 335.3948 |
SMILES | CCOC(=O)c1oc2cccc(OCC(O)CNC(C)C)c2c1C |
Structure |
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