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Target
5-hydroxytryptamine receptor 3A
Ligand
BDBM160722
Substrate
n/a
Meas. Tech.
Radioligand Binding Assay
pH
7.5±n/a
Temperature
298.15±n/a K
Ki
130±n/a nM
Comments
extracted
Citation
 Guzzo, PR; Manning, DD; Earley, 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:
BDBM160722
Synonyms:
US9045501, 17
Type:
Small organic molecule
Emp. Form.:
C19H24N4O
Mol. Mass.:
324.4201
SMILES:
CCc1nc2cccc3C(=O)N(CCn1c23)[C@@H]1CN2CCC1CC2 |r,wD:16.18,(3.85,-4.92,;3.08,-3.59,;1.54,-3.59,;.63,-4.82,;-.83,-4.33,;-2.17,-5.09,;-3.5,-4.31,;-3.49,-2.77,;-2.15,-2.01,;-2.36,-.49,;-3.85,-.09,;-1.31,.63,;.23,.5,;1.08,-.78,;.62,-2.24,;-.82,-2.8,;-1.71,2.12,;-3.19,2.52,;-3.59,4,;-2.5,5.09,;-1.02,4.69,;-.62,3.21,;-2.5,2.92,;-2.1,4.4,)|
Structure:
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