Reaction Details |
| Report a problem with these data |
Target | Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor |
---|
Ligand | BDBM50105066 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_216954 (CHEMBL822772) |
---|
IC50 | 4920±n/a nM |
---|
Citation | Poulain, R; Horvath, D; Bonnet, B; Eckhoff, C; Chapelain, B; Bodinier, MC; Déprez, B From hit to lead. Analyzing structure-profile relationships. J Med Chem44:3391-401 (2001) [PubMed] |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor |
---|
Name: | Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor |
Synonyms: | Adrenergic receptor alpha-1 |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of ChEMBL is 306566 |
Components: | This complex has 3 components. |
Component 1 |
Name: | Alpha-1D adrenergic receptor |
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 |
Type: | Enzyme Catalytic Domain |
Mol. Mass.: | 60485.82 |
Organism: | Homo sapiens (Human) |
Description: | adrenergic Alpha1D ADRA1D HUMAN::P25100 |
Residue: | 572 |
Sequence: | MTFRDLLSVSFEGPRPDSSAGGSSAGGGGGSAGGAAPSEGPAVGGVPGGAGGGGGVVGAG
SGEDNRSSAGEPGSAGAGGDVNGTAAVGGLVVSAQGVGVGVFLAAFILMAVAGNLLVILS
VACNRHLQTVTNYFIVNLAVADLLLSATVLPFSATMEVLGFWAFGRAFCDVWAAVDVLCC
TASILSLCTISVDRYVGVRHSLKYPAIMTERKAAAILALLWVVALVVSVGPLLGWKEPVP
PDERFCGITEEAGYAVFSSVCSFYLPMAVIVVMYCRVYVVARSTTRSLEAGVKRERGKAS
EVVLRIHCRGAATGADGAHGMRSAKGHTFRSSLSVRLLKFSREKKAAKTLAIVVGVFVLC
WFPFFFVLPLGSLFPQLKPSEGVFKVIFWLGYFNSCVNPLIYPCSSREFKRAFLRLLRCQ
CRRRRRRRPLWRVYGHHWRASTSGLRQDCAPSSGDAPPGAPLALTALPDPDPEPPGTPEM
QAPVASRRKPPSAFREWRLLGPFRRPTTQLRAKVSSLSHKIRAGGAQRAEAACAQRSEVE
AVSLGVPHEVAEGATCQAYELADYSNLRETDI
|
|
|
Component 2 |
Name: | Alpha-1B adrenergic receptor |
Synonyms: | ADA1B_HUMAN | ADRA1B | Adrenergic alpha1B | Adrenergic receptor | Adrenergic receptor alpha | Alpha 1B-adrenoceptor | Alpha 1B-adrenoreceptor | Alpha-1B adrenergic receptor |
Type: | Enzyme |
Mol. Mass.: | 56862.13 |
Organism: | Homo sapiens (Human) |
Description: | P35368 |
Residue: | 520 |
Sequence: | MNPDLDTGHNTSAPAHWGELKNANFTGPNQTSSNSTLPQLDITRAISVGLVLGAFILFAI
VGNILVILSVACNRHLRTPTNYFIVNLAMADLLLSFTVLPFSAALEVLGYWVLGRIFCDI
WAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGP
LLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAG
VMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVV
GMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFV
RILGCQCRGRGRRRRRRRRRLGGCAYTYRPWTRGGSLERSQSRKDSLDDSGSCLSGSQRT
LPSASPSPGYLGRGAPPPVELCAFPEWKAPGALLSLPAPEPPGRRGRHDSGPLFTFKLLT
EPESPGTDGGASNGGCEAAADVANGQPGFKSNMPLAPGQF
|
|
|
Component 3 |
Name: | Alpha-1A adrenergic receptor |
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 |
Type: | Cell-surface receptors |
Mol. Mass.: | 51511.67 |
Organism: | Homo sapiens (Human) |
Description: | P35348 |
Residue: | 466 |
Sequence: | MVFLSGNASDSSNCTQPPAPVNISKAILLGVILGGLILFGVLGNILVILSVACHRHLHSV
THYYIVNLAVADLLLTSTVLPFSAIFEVLGYWAFGRVFCNIWAAVDVLCCTASIMGLCII
SIDRYIGVSYPLRYPTIVTQRRGLMALLCVWALSLVISIGPLFGWRQPAPEDETICQINE
EPGYVLFSALGSFYLPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKN
APAGGSGMASAKTKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPD
FKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLCRKQSSKHALGYTL
HPPSQAVEGQHKDMVRIPVGSRETFYRISKTDGVCEWKFFSSMPRGSARITVSKDQSSCT
TARVRSKSFLQVCCCVGPSTPSLDKNHQVPTIKVHTISLSENGEEV
|
|
|
BDBM50105066 |
---|
n/a |
---|
Name | BDBM50105066 |
Synonyms: | 1-[1-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-piperidin-4-yl]-6-methyl-1,3-dihydro-benzoimidazol-2-one | CHEMBL420863 |
Type | Small organic molecule |
Emp. Form. | C21H22ClN3O3 |
Mol. Mass. | 399.871 |
SMILES | Cc1ccc2[nH]c(=O)n(C3CCN(Cc4cc5OCOc5cc4Cl)CC3)c2c1 |
Structure |
|