Reaction Details Report a problem with these data
Target
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor
Ligand
BDBM50308002
Substrate
n/a
Meas. Tech.
ChEMBL_975874 (CHEMBL2415523)
Ki
2500±n/a nM
Citation
 Pompeu, TE; Alves, FR; Figueiredo, CD; Antonio, CB; Herzfeldt, V; Moura, BC; Rates, SM; Barreiro, EJ; Fraga, CA; Noël, F Synthesis and pharmacological evaluation of new N-phenylpiperazine derivatives designed as homologues of the antipsychotic lead compound LASSBio-579. Eur J Med Chem 66:122-34 (2013) [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:
ADA2C_RAT | Adra2c | Adrenergic receptor alpha | Alpha-2C adrenergic receptor | adrenergic Alpha2 | adrenergic Alpha2C
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:
ADA2B_RAT | Adra2b | Adrenergic receptor alpha | Adrenergic receptor alpha-2 | Alpha-2B adrenergic receptor | Alpha-2B adrenoceptor | Alpha-2B adrenoreceptor | adrenergic Alpha2B
Type:
Enzyme Catalytic Domain
Mol. Mass.:
50379.83
Organism:
NEONATAL 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 adrenergic receptor | Alpha-2A adrenoceptor | Alpha-2A adrenoreceptor | Alpha-2AAR | Alpha-2D adrenergic receptor | Alpha2 Adrenoreceptor | CA2-47 | adrenergic Alpha2A
Type:
G-protein coupled receptor
Mol. Mass.:
48961.69
Organism:
Rattus norvegicus (rat)
Description:
P22909[16-465]
Residue:
450
Sequence:
MGSLQPDAGNSSWNGTEAPGGGTRATPYSLQVTLTLVCLAGLLMLFTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKVWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIVTVWVISAVISFPPLISIEKKGAGGGQQPAEPSCKINDQKWYVISSSIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDACSAPPGGADRRPNGLGPERGAGTAGAEAEPLPTQLNGAPGEPAPTRPRDGDALDLEESSSSEHAERPQGPGKPERGPRAKGKTKASQVKPGDSLPRRGPGAAGPGASGSGQGEERAGGAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLIAVGCPVPYQLFNFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
  
Inhibitor
Name:
BDBM50308002
Synonyms:
1-[(1-(4-Chlorophenyl)-1H-pyrazol-4-yl)methyl]-4-phenylpiperazine | CHEMBL597601
Type:
Small organic molecule
Emp. Form.:
C20H21ClN4
Mol. Mass.:
352.861
SMILES:
Clc1ccc(cc1)-n1cc(CN2CCN(CC2)c2ccccc2)cn1
Structure:
Search PDB for entries with ligand similarity: