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Target
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor
Ligand
BDBM50062915
Substrate
n/a
Meas. Tech.
ChEMBL_60020 (CHEMBL675845)
IC50
164±n/a nM
Citation
 Davies, HM; Hopper, DW; Hansen, T; Liu, Q; Childers, SR Synthesis of methylphenidate analogues and their binding affinities at dopamine and serotonin transport sites. Bioorg Med Chem Lett 14:1799-802 (2004) [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:
BDBM50062915
Synonyms:
CHEMBL827 | METHYLPHENIDATE | methyl (2R)-phenyl[(2R)-piperidin-2-yl]acetate | methyl (R)-phenyl[(R)-piperidin-2-yl]acetate
Type:
Small organic molecule
Emp. Form.:
C14H19NO2
Mol. Mass.:
233.3062
SMILES:
COC(=O)[C@@H]([C@H]1CCCCN1)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: