| Reaction Details |
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 | Report a problem with these data |
| Target | Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor |
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| Ligand | BDBM35255 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_33242 (CHEMBL643522) |
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| Ki | 3.4±n/a nM |
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| Citation |  Wermuth, CG Selective optimization of side activities: another way for drug discovery. J Med Chem47:1303-14 (2004) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor |
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| Name: | Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor |
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| Synonyms: | Adrenergic receptor alpha-1 |
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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 306566 |
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| Components: | This complex has 3 components. |
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| Component 1 |
| Name: | Alpha-1D adrenergic receptor |
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| Synonyms: | ADA1D_HUMAN | ADRA1A | ADRA1D | Adrenergic receptor | Adrenergic receptor alpha | Alpha 1D-adrenoceptor | Alpha 1D-adrenoreceptor | Alpha adrenergic receptor (1a and 1d) | Alpha-1D adrenoceptor | Alpha-adrenergic receptor 1a | adrenergic Alpha1D |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 60485.82 |
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| Organism: | Homo sapiens (Human) |
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| Description: | adrenergic Alpha1D ADRA1D HUMAN::P25100 |
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| Residue: | 572 |
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| Sequence: | MTFRDLLSVSFEGPRPDSSAGGSSAGGGGGSAGGAAPSEGPAVGGVPGGAGGGGGVVGAG
SGEDNRSSAGEPGSAGAGGDVNGTAAVGGLVVSAQGVGVGVFLAAFILMAVAGNLLVILS
VACNRHLQTVTNYFIVNLAVADLLLSATVLPFSATMEVLGFWAFGRAFCDVWAAVDVLCC
TASILSLCTISVDRYVGVRHSLKYPAIMTERKAAAILALLWVVALVVSVGPLLGWKEPVP
PDERFCGITEEAGYAVFSSVCSFYLPMAVIVVMYCRVYVVARSTTRSLEAGVKRERGKAS
EVVLRIHCRGAATGADGAHGMRSAKGHTFRSSLSVRLLKFSREKKAAKTLAIVVGVFVLC
WFPFFFVLPLGSLFPQLKPSEGVFKVIFWLGYFNSCVNPLIYPCSSREFKRAFLRLLRCQ
CRRRRRRRPLWRVYGHHWRASTSGLRQDCAPSSGDAPPGAPLALTALPDPDPEPPGTPEM
QAPVASRRKPPSAFREWRLLGPFRRPTTQLRAKVSSLSHKIRAGGAQRAEAACAQRSEVE
AVSLGVPHEVAEGATCQAYELADYSNLRETDI
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| Component 2 |
| Name: | Alpha-1B adrenergic receptor |
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| Synonyms: | ADA1B_HUMAN | ADRA1B | Adrenergic alpha1B | Adrenergic receptor | Adrenergic receptor alpha | Alpha 1B-adrenoceptor | Alpha 1B-adrenoreceptor | Alpha-1B adrenergic receptor |
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| Type: | Enzyme |
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| Mol. Mass.: | 56862.13 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P35368 |
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| Residue: | 520 |
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| Sequence: | MNPDLDTGHNTSAPAHWGELKNANFTGPNQTSSNSTLPQLDITRAISVGLVLGAFILFAI
VGNILVILSVACNRHLRTPTNYFIVNLAMADLLLSFTVLPFSAALEVLGYWVLGRIFCDI
WAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGP
LLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAG
VMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVV
GMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFV
RILGCQCRGRGRRRRRRRRRLGGCAYTYRPWTRGGSLERSQSRKDSLDDSGSCLSGSQRT
LPSASPSPGYLGRGAPPPVELCAFPEWKAPGALLSLPAPEPPGRRGRHDSGPLFTFKLLT
EPESPGTDGGASNGGCEAAADVANGQPGFKSNMPLAPGQF
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| Component 3 |
| Name: | Alpha-1A adrenergic receptor |
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| Synonyms: | ADA1A_HUMAN | ADRA1A | ADRA1C | Adrenergic alpha1A | Alpha 1A-adrenoceptor | Alpha 1A-adrenoreceptor | Alpha adrenergic receptor 1a | Alpha-1C adrenergic receptor | Alpha-adrenergic receptor 1c | Cerebral cortex alpha adrenergic receptor | adrenergic Alpha1 | adrenergic Alpha1C |
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| Type: | Cell-surface receptors |
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| Mol. Mass.: | 51511.67 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P35348 |
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| Residue: | 466 |
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| Sequence: | MVFLSGNASDSSNCTQPPAPVNISKAILLGVILGGLILFGVLGNILVILSVACHRHLHSV
THYYIVNLAVADLLLTSTVLPFSAIFEVLGYWAFGRVFCNIWAAVDVLCCTASIMGLCII
SIDRYIGVSYPLRYPTIVTQRRGLMALLCVWALSLVISIGPLFGWRQPAPEDETICQINE
EPGYVLFSALGSFYLPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKN
APAGGSGMASAKTKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPD
FKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLCRKQSSKHALGYTL
HPPSQAVEGQHKDMVRIPVGSRETFYRISKTDGVCEWKFFSSMPRGSARITVSKDQSSCT
TARVRSKSFLQVCCCVGPSTPSLDKNHQVPTIKVHTISLSENGEEV
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| BDBM35255 |
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| n/a |
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| Name | BDBM35255 |
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| Synonyms: | 2-Chlor-11-(2-dimethylaminoaethoxy)-dibenzo(b,f)-thiepin | 2-Chloro-11-(2-(dimethylamino)ethoxy)dibenzo(b,f)thiepin | 2-[(8-chlorodibenzo[b,f]thiepin-10-yl)oxy]-N,N-dimethylethanamine | CHEMBL285802 | Nipolept | Zoleptil | zotepine |
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| Type | Small organic molecule |
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| Emp. Form. | C18H18ClNOS |
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| Mol. Mass. | 331.86 |
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| SMILES | CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc12 |t:6| |
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| Structure | 
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