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Target
5-hydroxytryptamine receptor 3A
Ligand
BDBM50259937
Substrate
n/a
Meas. Tech.
ChEBML_1691999
IC50
860±n/a nM
Citation
 Hill, MD; Fang, H; Digavalli, SV; Healy, FL; Gallagher, L; Post-Munson, D; Chen, P; Natale, J; Benitex, Y; Morgan, D; Lodge, N; Bristow, L; Macor, JE; Olson, RE Development of spiroguanidine-derived?7 neuronal nicotinic receptor partial agonists. Bioorg Med Chem Lett 27:578-581 (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:
BDBM50259937
Synonyms:
CHEMBL4081582
Type:
Small organic molecule
Emp. Form.:
C14H18ClN5
Mol. Mass.:
291.779
SMILES:
Clc1ccc(NC2=NCC3(CN4CCC3CC4)N2)nc1 |t:6,THB:17:9:12.13:15.16,(12.67,-3.32,;11.13,-3.32,;10.35,-4.66,;8.81,-4.66,;8.05,-3.32,;6.51,-3.32,;5.74,-4.65,;6.36,-6.06,;5.22,-7.09,;3.88,-6.32,;3.68,-7.7,;1.76,-6.9,;.36,-7.82,;.71,-6.43,;2.4,-5.68,;2.34,-4.04,;1.75,-5.43,;4.21,-4.81,;8.81,-1.99,;10.35,-1.98,)|
Structure:
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