| Reaction Details |
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 | Report a problem with these data |
| Target | Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor |
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| Ligand | BDBM50001884 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_975874 (CHEMBL2415523) |
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| Ki | 100±n/a nM |
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| Citation |  Pompeu, TE; Alves, FR; Figueiredo, CD; Antonio, CB; Herzfeldt, V; Moura, BC; Rates, SM; Barreiro, EJ; Fraga, CA; Noël, F Synthesis and pharmacological evaluation of new N-phenylpiperazine derivatives designed as homologues of the antipsychotic lead compound LASSBio-579. Eur J Med Chem66:122-34 (2013) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor |
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| Name: | Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor |
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| Synonyms: | Adrenergic receptor alpha-2 |
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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 935397 |
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| Components: | This complex has 3 components. |
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| Component 1 |
| Name: | Alpha-2C adrenergic receptor |
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| Synonyms: | ADA2C_RAT | Adra2c | Adrenergic receptor alpha | Alpha-2C adrenergic receptor | adrenergic Alpha2 | adrenergic Alpha2C |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 49890.50 |
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| Organism: | RAT |
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| Description: | adrenergic Alpha2 0 RAT::P22086 |
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| Residue: | 458 |
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| Sequence: | MASPALAAALAAAAAEGPNGSDAGEWGSGGGANASGTDWGPPPGQYSAGAVAGLAAVVGF
LIVFTVVGNVLVVIAVLTSRALRAPQNLFLVSLASADILVATLVMPFSLANELMAYWYFG
QVWCGVYLALDVLFCTSSIVHLCAISLDRYWSVTQAVEYNLKRTPRRVKATIVAVWLISA
VISFPPLVSFYRRPDGAAYPQCGLNDETWYILSSCIGSFFAPCLIMGLVYARIYRVAKLR
TRTLSEKRGPAGPDGASPTTENGLGKAAGENGHCAPPRTEVEPDESSAAERRRRRGALRR
GGRRREGAEGDTGSADGPGPGLAAEQGARTASRSPGPGGRLSRASSRSVEFFLSRRRRAR
SSVCRRKVAQAREKRFTFVLAVVMGVFVLCWFPFFFSYSLYGICREACQLPEPLFKFFFW
IGYCNSSLNPVIYTVFNQDFRRSFKHILFRRRRRGFRQ
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| Component 2 |
| Name: | Alpha-2B adrenergic receptor |
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| Synonyms: | ADA2B_RAT | Adra2b | Adrenergic receptor alpha | Adrenergic receptor alpha-2 | Alpha-2B adrenergic receptor | Alpha-2B adrenoceptor | Alpha-2B adrenoreceptor | adrenergic Alpha2B |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 50379.83 |
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| Organism: | NEONATAL RAT |
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| Description: | adrenergic Alpha2B ADRA2B NEONATAL RAT::P19328 |
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| Residue: | 453 |
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| Sequence: | MSGPTMDHQEPYSVQATAAIASAITFLILFTIFGNALVILAVLTSRSLRAPQNLFLVSLA
AADILVATLIIPFSLANELLGYWYFWRAWCEVYLALDVLFCTSSIVHLCAISLDRYWAVS
RALEYNSKRTPRRIKCIILTVWLIAAVISLPPLIYKGDQRPEPRGLPQCELNQEAWYILA
SSIGSFFAPCLIMILVYLRIYVIAKRSHCRGLGAKRGSGEGESKKPQPVAGGVPTSAKVP
TLVSPLSSVGEANGHPKPPREKEEGETPEDPEARALPPTWSALPRSGQGQKKGTSGATAE
EGDEEDEEEVEECEPQTLPASPASVCNPPLQQPQTSRVLATLRGQVLLGKNVGVASGQWW
RRRTQLSREKRFTFVLAVVIGVFVVCWFPFFFSYSLGAICPQHCKVPHGLFQFFFWIGYC
NSSLNPVIYTVFNQDFRRAFRRILCRPWTQTGW
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| Component 3 |
| Name: | Alpha-2A adrenergic receptor [16-465] |
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| Synonyms: | ADA2A_RAT | Adra2a | Adrenaline 2 | Alpha-2A adrenergic receptor | Alpha-2A adrenoceptor | Alpha-2A adrenoreceptor | Alpha-2AAR | Alpha-2D adrenergic receptor | Alpha2 Adrenoreceptor | CA2-47 | adrenergic Alpha2A |
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| Type: | G-protein coupled receptor |
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| Mol. Mass.: | 48961.69 |
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| Organism: | Rattus norvegicus (rat) |
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| Description: | P22909[16-465] |
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| Residue: | 450 |
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| Sequence: | MGSLQPDAGNSSWNGTEAPGGGTRATPYSLQVTLTLVCLAGLLMLFTVFGNVLVIIAVFT
SRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKVWCEIYLALDVLFCTSS
IVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIVTVWVISAVISFPPLISIEKKGAGGG
QQPAEPSCKINDQKWYVISSSIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDACS
APPGGADRRPNGLGPERGAGTAGAEAEPLPTQLNGAPGEPAPTRPRDGDALDLEESSSSE
HAERPQGPGKPERGPRAKGKTKASQVKPGDSLPRRGPGAAGPGASGSGQGEERAGGAKAS
RWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLIAVGCPVPYQLFNFFFWFGYCNSS
LNPVIYTIFNHDFRRAFKKILCRGDRKRIV
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| BDBM50001884 |
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| n/a |
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| Name | BDBM50001884 |
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| Synonyms: | 2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl-2,3-dihydro-indol-1-yl)-ethanone | 3-Hydroxy-2-phenyl-propionic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester | 3-chloro-6-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine | 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine (Clozapine) | 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine( Clozepine ) | 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine(Ciozapine) | 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine(Clopazine) | 8-chloro-11-(4-methyl-piperazin-1-yl)-10H-dibenzo[b,e][1,4]diazepine | 8-chloro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine | CHEMBL42 | CHEMBL538973 | CLOZAPINE | CLOZAPINE, 8-CHLORO-11-(4-METHYL-PIPERAZIN-1-YL)-5H-DIBENZO[B,E][1,4]DIAZEPINE | CLOZARIL | HF 1854 | US10167256, Clozapine | US10752588, Compound Clozapine | US11498896, Compound Clozapine |
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| Type | Small organic molecule |
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| Emp. Form. | C18H19ClN4 |
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| Mol. Mass. | 326.823 |
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| SMILES | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| |
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| Structure | 
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