Ki Summary

Reaction Details

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Target

D(3) dopamine receptor

Ligand

BDBM50026747

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1437449 (CHEMBL3387259)

0.670000±n/a nM

Citation

Vass, M; Agai-Csongor, E; Horti, F; Keseru, GM Multiple fragment docking and linking in primary and secondary pockets of dopamine receptors. ACS Med Chem Lett5:1010-4 (2014) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

D(3) dopamine receptor

Name:

D(3) dopamine receptor

Synonyms:

Type:

n/a

Mol. Mass.:

44243.43

Organism:

Homo sapiens (Human)

Description:

n/a

Residue:

400

Sequence:

MASLSQLSSHLNYTCGAENSTGASQARPHAYYALSYCALILAIVFGNGLVCMAVLKERAL
QTTTNYLVVSLAVADLLVATLVMPWVVYLEVTGGVWNFSRICCDVFVTLDVMMCTASILN
LCAISIDRYTAVVMPVHYQHGTGQSSCRRVALMITAVWVLAFAVSCPLLFGFNTTGDPTV
CSISNPDFVIYSSVVSFYLPFGVTVLVYARIYVVLKQRRRKRILTRQNSQCNSVRPGFPQ
QTLSPDPAHLELKRYYSICQDTALGGPGFQERGGELKREEKTRNSLSPTIAPKLSLEVRK
LSNGRLSTSLKLGPLQPRGVPLREKKATQMVAIVLGAFIVCWLPFFLTHVLNTHCQTCHV
SPELYSATTWLGYVNSALNPVIYTTFNIEFRKAFLKILSC

BDBM50026747

n/a

Name

BDBM50026747

Synonyms:

CHEMBL3335472

Type

Small organic molecule

Emp. Form.

C20H28F3N5O2S

Mol. Mass.

459.529

SMILES

NS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cc(cc(c2)C(F)(F)F)C#N)CC1 |r,wU:5.4,wD:8.8,(31.51,-21.3,;30.02,-21.7,;30.02,-23.24,;28.69,-22.47,;29.25,-20.36,;27.71,-20.36,;26.94,-21.7,;25.4,-21.7,;24.63,-20.36,;23.09,-20.36,;22.32,-19.03,;20.78,-19.03,;20.01,-20.36,;18.47,-20.36,;17.7,-19.03,;18.47,-17.7,;20.01,-17.7,;16.16,-19.03,;15.39,-20.36,;13.85,-20.36,;13.08,-19.03,;13.85,-17.7,;15.39,-17.7,;13.08,-16.36,;12.31,-15.02,;13.85,-15.02,;11.54,-16.36,;13.08,-21.7,;12.31,-23.03,;25.4,-19.03,;26.94,-19.03,)|

Structure