Target
5-hydroxytryptamine receptor 3A
Ligand
BDBM160728
Substrate
n/a
Meas. Tech.
Radioligand Binding Assay
pH
7.5±n/a
Temperature
298.15±n/a K
Ki
206±n/a nM
Comments
extracted
Citation
 Guzzo, PRManning, DDEarley, W 5-HT3 receptor modulators, methods of making, and use thereof US Patent  US9045501 Publication Date 6/2/2015 
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:
BDBM160728
Synonyms:
US9045501, 23
Type:
Small organic molecule
Emp. Form.:
C23H23ClN4O
Mol. Mass.:
406.908
SMILES:
Clc1ccccc1-c1nc2cccc3C(=O)N(CCn1c23)[C@@H]1CN2CCC1CC2 |r,wD:21.24,(1.93,-5.67,;2.7,-4.34,;4.24,-4.34,;5.01,-3.01,;4.24,-1.67,;2.7,-1.67,;1.93,-3.01,;.39,-3.01,;-.53,-4.24,;-1.99,-3.76,;-3.33,-4.51,;-4.66,-3.73,;-4.64,-2.19,;-3.3,-1.43,;-3.52,.09,;-5.01,.49,;-2.46,1.21,;-.93,1.08,;-.07,-.2,;-.54,-1.67,;-1.98,-2.22,;-2.86,2.7,;-4.35,3.1,;-4.75,4.58,;-3.66,5.67,;-2.17,5.27,;-1.77,3.79,;-3.66,3.5,;-3.26,4.98,)|
Structure:
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