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Target
Alpha-1A/Alpha-2A adrenergic receptor
Ligand
BDBM50017543
Substrate
n/a
Meas. Tech.
ChEMBL_30242 (CHEMBL644381)
IC50
41±n/a nM
Citation
 Anderson, PS; Baldwin, JJ; McClure, DE; Lundell, GF; Jones, JH; Randall, WC; Martin, GE; Williams, M; Hirshfield, JM; Clineschmidt, BV; Lumma, PK; Remy, DC Synthesis of (7R)-7H-indolo[3,4-gh][1,4]benzoxazines, a new class of D-heteroergolines with dopamine agonist activity. J Med Chem 26:363-7 (1983) [PubMed]  Article 
Target
Name:
Alpha-1A/Alpha-2A adrenergic receptor
Synonyms:
Cerebral cortex alpha adrenergic receptor
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 30242
Components:
This complex has 2 components.
Component 1
Name:
Alpha-1A adrenergic receptor
Synonyms:
ADA1A_BOVIN | ADRA1A | ADRA1C | Alpha 1A-adrenoceptor | Alpha 1A-adrenoreceptor | Alpha-1C adrenergic receptor | Cerebral cortex alpha adrenergic receptor | adrenergic Alpha1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
51492.08
Organism:
CALF
Description:
adrenergic Alpha1 0 CALF
Residue:
466
Sequence:
MVFLSGNASDSSNCTHPPPPVNISKAILLGVILGGLILFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNVWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQKRGLMALLCVWALSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYVPLTIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNAQVGGSGVTSAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFRPSETVFKIAFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLRRKQSSKHTLGYTLHAPSHVLEGQHKDLVRIPVGSAETFYKISKTDGVCEWKIFSSLPRGSARMAVARDPSACTTARVRSKSFLQVCCCLGPSTPSHGENHQIPTIKIHTISLSENGEEV
  
Component 2
Name:
Alpha-2A adrenergic receptor
Synonyms:
ADA2A_BOVIN | ADRA2A | Alpha-2A adrenergic receptor | Alpha-2A adrenoceptor | Alpha-2A adrenoreceptor | Alpha-2AAR | Alpha-2D adrenergic receptor | Alpha-2Da adrenergic receptor | Cerebral cortex alpha adrenergic receptor | adrenergic Alpha2A | adrenergic Alpha2D
Type:
Enzyme Catalytic Domain
Mol. Mass.:
49275.13
Organism:
BOVINE
Description:
adrenergic Alpha2 0 BOVINE::Q28838
Residue:
452
Sequence:
MGSLQPDAGNASWNGTEAPGGGARATPYSLQVTLTLVCLAGLLMLFTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIVTVWVISAVISFPPLISFEKKRGRSGQPSAEPRCEINDQKWYVISSSIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDATAAELPGSAERRPNGLGPERGGVGPVGAEVESLQVQLNGAPGEPAPAGAGADALDLEESSSSEHAERPPGSRRSERGPRAKGKARASQVKPGDSLPRRGPGATGLGAPTAGPAEERSGGGAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLTAIGCPVPPTLFKFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
  
Inhibitor
Name:
BDBM50017543
Synonyms:
(6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinolin-7-ium | (6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinoline | 5-Bromo-7-methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid (10b-hydroxy-5-isobutyl-2-isopropyl-3,6-dioxo-octahydro-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-amide | 9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinolin-7-ium(Pergolide) | 9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinoline | 9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinoline(pergolide) | 9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinoline, mesylate (Pergolide) | CHEMBL531 | PERGOLIDE | Permax | [2-(1H-Indol-4-yl)-ethyl]-methyl-amine | cid_47811
Type:
Small organic molecule
Emp. Form.:
C19H26N2S
Mol. Mass.:
314.488
SMILES:
CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |r|
Structure:
Search PDB for entries with ligand similarity: