Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 3A
Ligand
BDBM50451620
Substrate
n/a
Meas. Tech.
ChEMBL_1745956 (CHEMBL4180466)
IC50
43±n/a nM
Citation
 Cook, J; Zusi, FC; Hill, MD; Fang, H; Pearce, B; Park, H; Gallagher, L; McDonald, IM; Bristow, L; Macor, JE; Olson, RE Design and synthesis of a novel series of (1'S,2R,4'S)-3H-4'-azaspiro[benzo[4,5]imidazo[2,1-b]oxazole-2,2'-bicyclo[2.2.2]octanes] with high affinity for the ?7 neuronal nicotinic receptor. Bioorg Med Chem Lett 27:5002-5005 (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:
BDBM50451620
Synonyms:
CHEMBL4209536
Type:
Small organic molecule
Emp. Form.:
C11H13Br2N3O
Mol. Mass.:
363.048
SMILES:
Brc1nc2O[C@@]3(Cn2c1Br)CN1CCC3CC1 |r,wU:5.4,THB:4:5:13.12:16.15,(20.16,-14,;18.86,-14.88,;17.41,-14.34,;16.47,-15.56,;14.99,-15.99,;14.94,-17.53,;16.38,-18.06,;17.33,-16.85,;18.81,-16.41,;20.06,-17.37,;15.56,-18.89,;14.01,-18.57,;12.59,-19.61,;12.06,-18.23,;13.42,-17.22,;13.1,-15.53,;13.83,-16.68,)|
Structure:
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