Reaction Details | |||
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Target | D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor | ||
Ligand | BDBM50008735 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_59883 (CHEMBL673009) | ||
IC50 | 12±n/a nM | ||
Citation | Welch, WM; Harbert, CA; Weissman, A; Koe, BK Neuroleptics from the 4a,9b-cis- and 4a,9b-trans-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole series. 2. J Med Chem29:2093-9 (1986) [PubMed] | ||
More Info.: | Get all data from this article, Assay Method | ||
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor | |||
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: |
| ||
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: |
| ||
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: |
| ||
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: |
| ||
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: |
| ||
BDBM50008735 | |||
n/a | |||
Name | BDBM50008735 | ||
Synonyms: | (+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[4,5]cyclohepta[de]pyrido[2,1-a]isoquinolin-3-ol | (+)-butaclamol | (+/-)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[4,5]cyclohepta[de]pyrido[2,1-a]isoquinolin-3-ol | (S)-(-)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[6,7]cyclohepta[de]pyrido[2,1-a]isoquinolin-3-ol | 3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[4,5]cyclohepta[de]pyrido[2,1-a]isoquinolin-3-ol | 3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[4,5]cyclohepta[de]pyrido[2,1-a]isoquinolin-3-ol ((+)-butaclamol) | 3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[4,5]cyclohepta[de]pyrido[2,1-a]isoquinolin-3-ol((+)-butaclamol) | 3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[6,7]cyclohepta[de]pyrido[2,1-a]isoquinolin-3-ol(Butaclamol) | BUTACLAMOL | BUTACLAMOL, (-) | BUTACLAMOL,(+) | BUTACLAMOL,d- | CHEMBL8514 | d-Butaclamol | ||
Type | Small organic molecule | ||
Emp. Form. | C25H31NO | ||
Mol. Mass. | 361.5197 | ||
SMILES | CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34 | ||
Structure |