Reaction Details |
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Target | Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor |
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Ligand | BDBM50005127 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_305457 (CHEMBL830954) |
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IC50 | 1000±n/a nM |
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Citation | Heinrich, T; Böttcher, H; Bartoszyk, GD; Greiner, HE; Seyfried, CA; Van Amsterdam, C Indolebutylamines as selective 5-HT(1A) agonists. J Med Chem47:4677-83 (2004) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor |
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Name: | Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor |
Synonyms: | Adrenergic Receptors (alpha 2) | Adrenergic receptor alpha-2 |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of ChEMBL is 305672 |
Components: | This complex has 3 components. |
Component 1 |
Name: | Alpha-2B adrenergic receptor |
Synonyms: | ADA2B_HUMAN | ADRA2B | ADRA2L1 | ADRA2RL1 | Adrenergic alpha2B | Adrenergic receptor | Adrenergic receptor alpha | Adrenergic, alpha-2B-, receptor [Homo sapiens] | Alpha-2 adrenergic receptor subtype C2 | Alpha-2B adrenoceptor | Alpha-2B adrenoreceptor | Alpha-2BAR |
Type: | Enzyme |
Mol. Mass.: | 49964.20 |
Organism: | Homo sapiens (Human) |
Description: | P18089 |
Residue: | 450 |
Sequence: | MDHQDPYSVQATAAIAAAITFLILFTIFGNALVILAVLTSRSLRAPQNLFLVSLAAADIL
VATLIIPFSLANELLGYWYFRRTWCEVYLALDVLFCTSSIVHLCAISLDRYWAVSRALEY
NSKRTPRRIKCIILTVWLIAAVISLPPLIYKGDQGPQPRGRPQCKLNQEAWYILASSIGS
FFAPCLIMILVYLRIYLIAKRSNRRGPRAKGGPGQGESKQPRPDHGGALASAKLPALASV
ASAREVNGHSKSTGEKEEGETPEDTGTRALPPSWAALPNSGQGQKEGVCGASPEDEAEEE
EEEEEEEEECEPQAVPVSPASACSPPLQQPQGSRVLATLRGQVLLGRGVGAIGGQWWRRR
AQLTREKRFTFVLAVVIGVFVLCWFPFFFSYSLGAICPKHCKVPHGLFQFFFWIGYCNSS
LNPVIYTIFNQDFRRAFRRILCRPWTQTAW
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Component 2 |
Name: | Alpha-2A adrenergic receptor |
Synonyms: | ADA2A_HUMAN | ADRA2A | ADRA2R | ADRAR | Adrenergic alpha2A | Adrenergic receptor alpha | Alpha-2 adrenergic receptor subtype C10 | Alpha-2A adrenoceptor | Alpha-2A adrenoreceptor | Alpha-2AAR | alpha-2A adrenergic receptor [Homo sapiens] |
Type: | Enzyme |
Mol. Mass.: | 48979.91 |
Organism: | Homo sapiens (Human) |
Description: | P08913 |
Residue: | 465 |
Sequence: | MFRQEQPLAEGSFAPMGSLQPDAGNASWNGTEAPGGGARATPYSLQVTLTLVCLAGLLML
LTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAW
CEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIITVWVISAVIS
FPPLISIEKKGGGGGPQPAEPRCEINDQKWYVISSCIGSFFAPCLIMILVYVRIYQIAKR
RTRVPPSRRGPDAVAAPPGGTERRPNGLGPERSAGPGGAEAEPLPTQLNGAPGEPAPAGP
RDTDALDLEESSSSDHAERPPGPRRPERGPRGKGKARASQVKPGDSLPRRGPGATGIGTP
AAGPGEERVGAAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLTAVGCSVPR
TLFKFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
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Component 3 |
Name: | Alpha-2C adrenergic receptor |
Synonyms: | ADA2C_HUMAN | ADRA2C | ADRA2L2 | ADRA2RL2 | Adrenergic alpha2C | Adrenergic receptor | Adrenergic receptor alpha | Adrenergic, alpha-2C-, receptor | Alpha-2 adrenergic receptor subtype C4 | Alpha-2C adrenoceptor | Alpha-2C adrenoreceptor | adrenergic, alpha-2C-, receptor [Homo sapiens] |
Type: | Enzyme |
Mol. Mass.: | 49552.32 |
Organism: | Homo sapiens (Human) |
Description: | P18825 |
Residue: | 462 |
Sequence: | MASPALAAALAVAAAAGPNASGAGERGSGGVANASGASWGPPRGQYSAGAVAGLAAVVGF
LIVFTVVGNVLVVIAVLTSRALRAPQNLFLVSLASADILVATLVMPFSLANELMAYWYFG
QVWCGVYLALDVLFCTSSIVHLCAISLDRYWSVTQAVEYNLKRTPRRVKATIVAVWLISA
VISFPPLVSLYRQPDGAAYPQCGLNDETWYILSSCIGSFFAPCLIMGLVYARIYRVAKLR
TRTLSEKRAPVGPDGASPTTENGLGAAAGAGENGHCAPPPADVEPDESSAAAERRRRRGA
LRRGGRRRAGAEGGAGGADGQGAGPGAAESGALTASRSPGPGGRLSRASSRSVEFFLSRR
RRARSSVCRRKVAQAREKRFTFVLAVVMGVFVLCWFPFFFSYSLYGICREACQVPGPLFK
FFFWIGYCNSSLNPVIYTVFNQDFRRSFKHILFRRRRRGFRQ
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BDBM50005127 |
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n/a |
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Name | BDBM50005127 |
Synonyms: | 1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-butyl]-1,2-dihydro-1lambda*6*-benzo[d]isothiazol-3-one | 1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-butyl]-1,2-dihydro-1lambda*6*-benzo[d]isothiazol-3-one (Ipsapirone) | 1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-butyl]-1,2-dihydro-1lambda*6*-benzo[d]isothiazol-3-one(Ipsapirone) | CHEMBL8412 | IPSAPIRONE |
Type | Small organic molecule |
Emp. Form. | C19H23N5O3S |
Mol. Mass. | 401.483 |
SMILES | O=C1N(CCCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12 |
Structure |
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