Target
5-hydroxytryptamine receptor 3A
Ligand
BDBM50334449
Substrate
n/a
Meas. Tech.
Radioligand Binding Assay
pH
7.5±0
Ki
5±0.0 nM
Citation
 Manning, DDCioffi, CL 5-HT3 receptor modulators, methods of making, and use thereof US Patent  US8501729 Publication Date 8/6/2013 
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:
BDBM50334449
Synonyms:
(R)-2-benzyl-7-(quinuclidin-3-yl)-7,8-dihydropyrazolo[3,4,5-de]isoquinolin-6(2H)-one | CHEMBL1643890 | US8501729, 17
Type:
Small organic molecule
Emp. Form.:
C23H24N4O
Mol. Mass.:
372.4629
SMILES:
O=c1n(cc2[nH]n(Cc3ccccc3)c3cccc1c23)[C@H]1CN2CCC1CC2 |r,wU:20.23,(21.21,-11.04,;22.56,-11.82,;23.88,-11.05,;25.22,-11.82,;25.22,-13.37,;26.37,-14.4,;25.34,-16.15,;26.1,-17.48,;25.33,-18.81,;23.79,-18.79,;23.01,-20.12,;23.77,-21.46,;25.32,-21.46,;26.09,-20.13,;23.88,-15.68,;22.56,-16.45,;21.22,-15.68,;21.22,-14.14,;22.56,-13.37,;23.89,-14.14,;23.88,-9.52,;22.55,-8.75,;22.55,-7.21,;23.88,-6.44,;25.21,-7.21,;25.21,-8.75,;23.71,-8.24,;24.03,-7.61,)|
Structure:
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