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Target
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor
Ligand
BDBM50471345
Substrate
n/a
Meas. Tech.
ChEMBL_34206 (CHEMBL649223)
Ki
1570±n/a nM
Citation
 Zhang, X; De Los Angeles, JE; He, MY; Dalton, JT; Shams, G; Lei, L; Patil, PN; Feller, DR; Miller, DD; Hsu, FL Medetomidine analogs as alpha 2-adrenergic ligands. 3. Synthesis and biological evaluation of a new series of medetomidine analogs and their potential binding interactions with alpha 2-adrenoceptors involving a "methyl pocket". J Med Chem 40:3014-24 (1997) [PubMed]  Article 
Target
Name:
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor
Synonyms:
Adrenergic receptor alpha-2
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 935397
Components:
This complex has 3 components.
Component 1
Name:
Alpha-2C adrenergic receptor
Synonyms:
adrenergic Alpha2C | Alpha-2C adrenergic receptor | ADA2C_RAT | Adra2c | Adrenergic receptor alpha | adrenergic Alpha2
Type:
Enzyme Catalytic Domain
Mol. Mass.:
49890.50
Organism:
Rat
Description:
adrenergic Alpha2 0 RAT::P22086
Residue:
458
Sequence:
MASPALAAALAAAAAEGPNGSDAGEWGSGGGANASGTDWGPPPGQYSAGAVAGLAAVVGFLIVFTVVGNVLVVIAVLTSRALRAPQNLFLVSLASADILVATLVMPFSLANELMAYWYFGQVWCGVYLALDVLFCTSSIVHLCAISLDRYWSVTQAVEYNLKRTPRRVKATIVAVWLISAVISFPPLVSFYRRPDGAAYPQCGLNDETWYILSSCIGSFFAPCLIMGLVYARIYRVAKLRTRTLSEKRGPAGPDGASPTTENGLGKAAGENGHCAPPRTEVEPDESSAAERRRRRGALRRGGRRREGAEGDTGSADGPGPGLAAEQGARTASRSPGPGGRLSRASSRSVEFFLSRRRRARSSVCRRKVAQAREKRFTFVLAVVMGVFVLCWFPFFFSYSLYGICREACQLPEPLFKFFFWIGYCNSSLNPVIYTVFNQDFRRSFKHILFRRRRRGFRQ
  
Component 2
Name:
Alpha-2B adrenergic receptor
Synonyms:
Alpha-2B adrenergic receptor | adrenergic Alpha2B | Alpha-2B adrenoceptor | Alpha-2B adrenoreceptor | ADA2B_RAT | Adra2b | Adrenergic receptor alpha | Adrenergic receptor alpha-2
Type:
Enzyme Catalytic Domain
Mol. Mass.:
50379.83
Organism:
Rat
Description:
adrenergic Alpha2B ADRA2B NEONATAL RAT::P19328
Residue:
453
Sequence:
MSGPTMDHQEPYSVQATAAIASAITFLILFTIFGNALVILAVLTSRSLRAPQNLFLVSLAAADILVATLIIPFSLANELLGYWYFWRAWCEVYLALDVLFCTSSIVHLCAISLDRYWAVSRALEYNSKRTPRRIKCIILTVWLIAAVISLPPLIYKGDQRPEPRGLPQCELNQEAWYILASSIGSFFAPCLIMILVYLRIYVIAKRSHCRGLGAKRGSGEGESKKPQPVAGGVPTSAKVPTLVSPLSSVGEANGHPKPPREKEEGETPEDPEARALPPTWSALPRSGQGQKKGTSGATAEEGDEEDEEEVEECEPQTLPASPASVCNPPLQQPQTSRVLATLRGQVLLGKNVGVASGQWWRRRTQLSREKRFTFVLAVVIGVFVVCWFPFFFSYSLGAICPQHCKVPHGLFQFFFWIGYCNSSLNPVIYTVFNQDFRRAFRRILCRPWTQTGW
  
Component 3
Name:
Alpha-2A adrenergic receptor [16-465]
Synonyms:
ADA2A_RAT | Adra2a | Adrenaline 2 | Alpha-2A adrenoceptor | Alpha-2A adrenoreceptor | Alpha-2AAR | Alpha-2D adrenergic receptor | Alpha2 Adrenoreceptor | CA2-47 | adrenergic Alpha2A | Alpha-2A adrenergic receptor
Type:
G-protein coupled receptor
Mol. Mass.:
48961.69
Organism:
Rat
Description:
P22909[16-465]
Residue:
450
Sequence:
MGSLQPDAGNSSWNGTEAPGGGTRATPYSLQVTLTLVCLAGLLMLFTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKVWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIVTVWVISAVISFPPLISIEKKGAGGGQQPAEPSCKINDQKWYVISSSIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDACSAPPGGADRRPNGLGPERGAGTAGAEAEPLPTQLNGAPGEPAPTRPRDGDALDLEESSSSEHAERPQGPGKPERGPRAKGKTKASQVKPGDSLPRRGPGAAGPGASGSGQGEERAGGAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLIAVGCPVPYQLFNFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
  
Inhibitor
Name:
BDBM50471345
Synonyms:
CHEMBL102538
Type:
Small organic molecule
Emp. Form.:
C14H14N2O
Mol. Mass.:
226.28
SMILES:
COc1ccc2CCC=C(c3c[nH]cn3)c2c1 |t:8|
Structure:
Search PDB for entries with ligand similarity: