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Target
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor
Ligand
BDBM50017543
Substrate
n/a
Meas. Tech.
ChEMBL_216110 (CHEMBL816033)
IC50
4.1±n/a nM
Citation
 Titus, RD; Kornfeld, EC; Jones, ND; Clemens, JA; Smalstig, EB; Fuller, RW; Hahn, RA; Hynes, MD; Mason, NR; Wong, DT; Foreman, MM Resolution and absolute configuration of an ergoline-related dopamine agonist, trans-4,4a,5,6,7,8,8a,9-Octahydro-5-propyl-1H(or 2H)-pyrazolo[3,4-g]quinoline. J Med Chem 26:1112-6 (1983) [PubMed]  Article 
Target
Name:
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor
Synonyms:
Dopamine receptor
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 60018
Components:
This complex has 5 components.
Component 1
Name:
D(2) dopamine receptor
Synonyms:
DOPAMINE D2 | DOPAMINE D2 Long | DOPAMINE D2 Short | DRD2_RAT | Dopamine D2 receptor | Dopamine2-like | Drd2
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
50931.60
Organism:
Rattus norvegicus (rat)
Description:
P61169
Residue:
444
Sequence:
MDPLNLSWYDDDLERQNWSRPFNGSEGKADRPHYNYYAMLLTLLIFIIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASILNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMIAIVWVLSFTISCPLLFGLNNTDQNECIIANPAFVVYSSIVSFYVPFIVTLLVYIKIYIVLRKRRKRVNTKRSSRAFRANLKTPLKGNCTHPEDMKLCTVIMKSNGSFPVNRRRMDAARRAQELEMEMLSSTSPPERTRYSPIPPSHHQLTLPDPSHHGLHSNPDSPAKPEKNGHAKIVNPRIAKFFEIQTMPNGKTRTSLKTMSRRKLSQQKEKKATQMLAIVLGVFIICWLPFFITHILNIHCDCNIPPVLYSAFTWLGYVNSAVNPIIYTTFNIEFRKAFMKILHC
  
Component 2
Name:
D(1A) dopamine receptor
Synonyms:
DOPAMINE D1 | DRD1_RAT | Dopamine D1 high | Dopamine D1 low | Dopamine receptor | Dopamine receptor D1 | Dopamine1-like | Drd1 | Drd1a
Type:
Enzyme Catalytic Domain
Mol. Mass.:
49429.75
Organism:
RAT
Description:
P18901
Residue:
446
Sequence:
MAPNTSTMDEAGLPAERDFSFRILTACFLSLLILSTLLGNTLVCAAVIRFRHLRSKVTNFFVISLAVSDLLVAVLVMPWKAVAEIAGFWPLGPFCNIWVAFDIMCSTASILNLCVISVDRYWAISSPFQYERKMTPKAAFILISVAWTLSVLISFIPVQLSWHKAKPTWPLDGNFTSLEDTEDDNCDTRLSRTYAISSSLISFYIPVAIMIVTYTSIYRIAQKQIRRISALERAAVHAKNCQTTAGNGNPVECAQSESSFKMSFKRETKVLKTLSVIMGVFVCCWLPFFISNCMVPFCGSEETQPFCIDSITFDVFVWFGWANSSLNPIIYAFNADFQKAFSTLLGCYRLCPTTNNAIETVSINNNGAVVFSSHHEPRGSISKDCNLVYLIPHAVGSSEDLKKEEAGGIAKPLEKLSPALSVILDYDTDVSLEKIQPVTHSGQHST
  
Component 3
Name:
D(3) dopamine receptor
Synonyms:
DOPAMINE D3 | DRD3_RAT | Dopamine D3 receptor | Drd3
Type:
Protein
Mol. Mass.:
49540.58
Organism:
Rattus norvegicus (Rat)
Description:
P19020
Residue:
446
Sequence:
MAPLSQISTHLNSTCGAENSTGVNRARPHAYYALSYCALILAIIFGNGLVCAAVLRERALQTTTNYLVVSLAVADLLVATLVMPWVVYLEVTGGVWNFSRICCDVFVTLDVMMCTASILNLCAISIDRYTAVVMPVHYQHGTGQSSCRRVALMITAVWVLAFAVSCPLLFGFNTTGDPSICSISNPDFVIYSSVVSFYVPFGVTVLVYARIYIVLRQRQRKRILTRQNSQCISIRPGFPQQSSCLRLHPIRQFSIRARFLSDATGQMEHIEDKQYPQKCQDPLLSHLQPPSPGQTHGGLKRYYSICQDTALRHPSLEGGAGMSPVERTRNSLSPTMAPKLSLEVRKLSNGRLSTSLRLGPLQPRGVPLREKKATQMVVIVLGAFIVCWLPFFLTHVLNTHCQACHVSPELYRATTWLGYVNSALNPVIYTTFNVEFRKAFLKILSC
  
Component 4
Name:
D(4) dopamine receptor
Synonyms:
D(4) dopamine receptor | DOPAMINE D4 | DOPAMINE D4.4 | DRD4_RAT | Dopamine receptor | Drd4
Type:
Enzyme Catalytic Domain
Mol. Mass.:
41307.65
Organism:
RAT
Description:
DOPAMINE D4.4 0 RAT::P30729
Residue:
387
Sequence:
MGNSSATGDGGLLAGRGPESLGTGTGLGGAGAAALVGGVLLIGMVLAGNSLVCVSVASERILQTPTNYFIVSLAAADLLLAVLVLPLFVYSEVQGGVWLLSPRLCDTLMAMDVMLCTASIFNLCAISVDRFVAVTVPLRYNQQGQCQLLLIAATWLLSAAVAAPVVCGLNDVPGRDPTVCCLEDRDYVVYSSICSFFLPCPLMLLLYWATFRGLRRWEAARHTKLHSRAPRRPSGPGPPVSDPTQGPLFSDCPPPSPSLRTSPTVSSRPESDLSQSPCSPGCLLPDAALAQPPAPSSRRKRGAKITGRERKAMRVLPVVVGAFLMCWTPFFVVHITRALCPACFVSPRLVSAVTWLGYVNSALNPIIYTIFNAEFRSVFRKTLRLRC
  
Component 5
Name:
D(1B) dopamine receptor
Synonyms:
D(1B) dopamine receptor | DOPAMINE D5 | DRD5_RAT | Dopamine D1B | Dopamine D5 receptor | Dopamine receptor | Drd5
Type:
Enzyme Catalytic Domain
Mol. Mass.:
52827.88
Organism:
RAT
Description:
Dopamine D1B 0 RAT::P25115
Residue:
475
Sequence:
MLPPGRNRTAQPARLGLQRQLAQVDAPAGSATPLGPAQVVTAGLLTLLIVWTLLGNVLVCAAIVRSRHLRAKMTNIFIVSLAVSDLFVALLVMPWKAVAEVAGYWPFGTFCDIWVAFDIMCSTASILNLCIISVDRYWAISRPFRYERKMTQRVALVMVGLAWTLSILISFIPVQLNWHRDKAGSQGQEGLLSNGTPWEEGWELEGRTENCDSSLNRTYAISSSLISFYIPVAIMIVTYTRIYRIAQVQIRRISSLERAAEHAQSCRSRGAYEPDPSLRASIKKETKVFKTLSMIMGVFVCCWLPFFILNCMVPFCSSGDAEGPKTGFPCVSETTFDIFVWFGWANSSLNPIIYAFNADFRKVFAQLLGCSHFCFRTPVQTVNISNELISYNQDTVFHKEIATAYVHMIPNAVSSGDREVGEEEEEGPFDHMSQISPTTPDGDLAAESVWELDCEEEVSLGKISPLTPNCFDKTA
  
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: