Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 3A
Ligand
BDBM50459883
Substrate
n/a
Meas. Tech.
ChEMBL_1767441 (CHEMBL4219553)
IC50
150±n/a nM
Citation
 Sparling, BA; DiMauro, EF Progress in the discovery of small molecule modulators of the Cys-loop superfamily receptors. Bioorg Med Chem Lett 27:3207-3218 (2017) [PubMed]  Article 
Target
Name:
5-hydroxytryptamine receptor 3A
Synonyms:
5-HT-3 | 5-HT3 | 5-HT3A | 5-HT3R | 5-hydroxytryptamine receptor 3 (5-HT3) | 5-hydroxytryptamine receptor 3A (5-HT3a) | 5-hydroxytryptamine receptor 3A (5HT3A) | 5HT3A_HUMAN | 5HT3R | HTR3 | HTR3A | Serotonin 3 (5-HT3) receptor | Serotonin 3 receptor (5HT3) | Serotonin receptor 3A | Serotonin-gated ion channel receptor | Serotonin-gated ion channel receptor 3
Type:
Protein
Mol. Mass.:
55283.27
Organism:
Homo sapiens (Human)
Description:
P46098
Residue:
478
Sequence:
MLLWVQQALLALLLPTLLAQGEARRSRNTTRPALLRLSDYLLTNYRKGVRPVRDWRKPTTVSIDVIVYAILNVDEKNQVLTTYIWYRQYWTDEFLQWNPEDFDNITKLSIPTDSIWVPDILINEFVDVGKSPNIPYVYIRHQGEVQNYKPLQVVTACSLDIYNFPFDVQNCSLTFTSWLHTIQDINISLWRLPEKVKSDRSVFMNQGEWELLGVLPYFREFSMESSNYYAEMKFYVVIRRRPLFYVVSLLLPSIFLMVMDIVGFYLPPNSGERVSFKITLLLGYSVFLIIVSDTLPATAIGTPLIGVYFVVCMALLVISLAETIFIVRLVHKQDLQQPVPAWLRHLVLERIAWLLCLREQSTSQRPPATSQATKTDDCSAMGNHCSHMGGPQDFEKSPRDRCSPPPPPREASLAVCGLLQELSSIRQFLEKRDEIREVARDWLRVGSVLDKLLFHIYLLAVLAYSITLVMLWSIWQYA
  
Inhibitor
Name:
BDBM50459883
Synonyms:
CHEMBL4228983
Type:
Small organic molecule
Emp. Form.:
C17H19N3O
Mol. Mass.:
281.3523
SMILES:
O=C(N[C@H]1CN2CCC1CC2)c1ccc2ncccc2c1 |r,wU:3.2,THB:2:3:6.7:10.9,(14.8,-46.54,;14.57,-45.02,;13.14,-44.45,;11.94,-45.41,;12.23,-46.92,;10.76,-46.23,;9.1,-46.94,;8.89,-45.45,;10.48,-44.76,;10.55,-42.99,;10.95,-44.13,;15.78,-44.06,;15.54,-42.54,;16.74,-41.58,;18.18,-42.14,;19.38,-41.19,;20.8,-41.75,;21.04,-43.27,;19.83,-44.22,;18.41,-43.66,;17.21,-44.63,)|
Structure:
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