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Target
5-hydroxytryptamine receptor 3A
Ligand
BDBM125048
Substrate
n/a
Meas. Tech.
5-HT3 Receptor Assay
pH
7.4±n/a
Ki
12000±n/a nM
Comments
extracted
Citation
 Fleβner, T; Böβ, F; Erb, C; Hafner, F; Schnizler, K; Lang, D; Luithle, J; Van Kampen, M; Van Der Staay, F Azabicyclic carbamates and their use as alpha-7 nicotinic acetylcholine receptor agonists US Patent  US9714242 Publication Date 7/25/2017 
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:
BDBM125048
Synonyms:
US8772511, 5 | US9714242, 5
Type:
Small organic molecule
Emp. Form.:
C25H28N4O2S
Mol. Mass.:
448.58
SMILES:
O=C(NCCc1ccccc1)Nc1ccc2cc(sc2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:24.26,(2.63,,;3.4,1.33,;4.94,1.33,;5.71,,;7.25,,;8.02,-1.33,;7.25,-2.67,;8.02,-4,;9.56,-4,;10.33,-2.67,;9.56,-1.33,;2.63,2.67,;1.09,2.67,;.32,4,;-1.22,4,;-1.99,2.67,;-3.5,2.35,;-3.66,.82,;-2.25,.19,;-1.22,1.33,;.32,1.33,;-4.99,.05,;-4.99,-1.49,;-6.33,.82,;-7.66,.05,;-7.66,-1.49,;-8.99,-2.26,;-10.33,-1.49,;-10.33,.05,;-8.99,.82,;-8.22,-.52,;-9.71,-.92,)|
Structure:
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