| 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 | BDBM50187390 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_357739 (CHEMBL870198) |
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| Ki | 35±n/a nM |
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| Citation |  Becker, OM; Dhanoa, DS; Marantz, Y; Chen, D; Shacham, S; Cheruku, S; Heifetz, A; Mohanty, P; Fichman, M; Sharadendu, A; Nudelman, R; Kauffman, M; Noiman, S An integrated in silico 3D model-driven discovery of a novel, potent, and selective amidosulfonamide 5-HT1A agonist (PRX-00023) for the treatment of anxiety and depression. J Med Chem49:3116-35 (2006) [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 | Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor | alpha-1 Adrenergic Receptor |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of EBI is 303470 |
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| Components: | This complex has 3 components. |
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| Component 1 |
| Name: | Alpha-1B adrenergic receptor |
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| Synonyms: | ADA1B_RAT | Adra1b | Alpha 1B-adrenoceptor | Alpha 1B-adrenoreceptor | Alpha adrenergic receptor 1A and 1B | Alpha-1 Adrenergic Receptor | Alpha-1Adrenoceptor | Alpha-1B adrenergic receptor | Alpha-1B adrenoreceptor | adrenergic Alpha1B |
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| Type: | G Protein-Coupled Receptor (GPCR) |
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| Mol. Mass.: | 56606.71 |
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| Organism: | Rattus norvegicus (rat) |
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| Description: | Receptor binding assays were performed using rat cortical membranes. |
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| Residue: | 515 |
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| Sequence: | MNPDLDTGHNTSAPAHWGELKDDNFTGPNQTSSNSTLPQLDVTRAISVGLVLGAFILFAI
VGNILVILSVACNRHLRTPTNYFIVNLAIADLLLSFTVLPFSATLEVLGYWVLGRIFCDI
WAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGP
LLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAG
VMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVV
GMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFM
RILGCQCRGGRRRRRRRRLGACAYTYRPWTRGGSLERSQSRKDSLDDSGSCMSGTQRTLP
SASPSPGYLGRGTQPPVELCAFPEWKPGALLSLPEPPGRRGRLDSGPLFTFKLLGDPESP
GTEGDTSNGGCDTTTDLANGQPGFKSNMPLAPGHF
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| Component 2 |
| Name: | Alpha-1A adrenergic receptor |
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| Synonyms: | ADA1A_RAT | Adra1a | Adra1c | Alpha-1 adrenoreceptor | Alpha-1A adrenoceptor | Alpha-1A adrenoreceptor | Alpha-1C adrenergic receptor | adrenergic Alpha1A |
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| Type: | Protein |
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| Mol. Mass.: | 51620.15 |
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| Organism: | Rattus norvegicus (Rat) |
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| Description: | P43140 |
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| Residue: | 466 |
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| Sequence: | MVLLSENASEGSNCTHPPAPVNISKAILLGVILGGLIIFGVLGNILVILSVACHRHLHSV
THYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNIWAAVDVLCCTASIMGLCII
SIDRYIGVSYPLRYPTIVTQRRGVRALLCVWVLSLVISIGPLFGWRQPAPEDETICQINE
EPGYVLFSALGSFYVPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKN
VPAEGGGVSSAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPD
FKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLRRRQSSKHALGYTL
HPPSQALEGQHRDMVRIPVGSGETFYKISKTDGVCEWKFFSSMPQGSARITVPKDQSACT
TARVRSKSFLQVCCCVGSSAPRPEENHQVPTIKIHTISLGENGEEV
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| Component 3 |
| Name: | Alpha-1D adrenergic receptor |
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| Synonyms: | ADA1D_RAT | Adra1a | Adra1d | Alpha adrenergic receptor 1A and 1D | Alpha-1D adrenergic receptor | Serotonin 1a (5-HT1a) receptor/Adrenergic receptor alpha-1 |
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| Type: | Protein |
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| Mol. Mass.: | 59375.97 |
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| Organism: | Rattus norvegicus (Rat) |
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| Description: | P23944 |
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| Residue: | 561 |
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| Sequence: | MTFRDILSVTFEGPRSSSSTGGSGAGGGAGTVGPEGGAVGGVPGATGGGAVVGTGSGEDN
QSSTGEPGAAASGEVNGSAAVGGLVVSAQGVGVGVFLAAFILTAVAGNLLVILSVACNRH
LQTVTNYFIVNLAVADLLLSAAVLPFSATMEVLGFWAFGRTFCDVWAAVDVLCCTASILS
LCTISVDRYVGVRHSLKYPAIMTERKAAAILALLWAVALVVSVGPLLGWKEPVPPDERFC
GITEEVGYAIFSSVCSFYLPMAVIVVMYCRVYVVARSTTRSLEAGIKREPGKASEVVLRI
HCRGAATSAKGYPGTQSSKGHTLRSSLSVRLLKFSREKKAAKTLAIVVGVFVLCWFPFFF
VLPLGSLFPQLKPSEGVFKVIFWLGYFNSCVNPLIYPCSSREFKRAFLRLLRCQCRRRRR
RLWAVYGHHWRASTGDARSDCAPSPRIAPPGAPLALTAHPGAGSADTPETQDSVSSSRKP
ASALREWRLLGPLQRPTTQLRAKVSSLSHKIRSGARRAETACALRSEVEAVSLNVPQDGA
EAVICQAYEPGDYSNLRETDI
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| BDBM50187390 |
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| n/a |
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| Name | BDBM50187390 |
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| Synonyms: | CHEMBL380369 | Sunepitron |
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| Type | Small organic molecule |
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| Emp. Form. | C17H23N5O2 |
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| Mol. Mass. | 329.3968 |
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| SMILES | [H][C@@]12CC[C@H](CN3C(=O)CCC3=O)CN1CCN(C2)c1ncccn1 |
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| Structure | 
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