Target
5-hydroxytryptamine receptor 3A
Ligand
BDBM50334451
Substrate
n/a
Meas. Tech.
Radioligand Binding Assay
pH
7.5±0
Ki
7±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:
BDBM50334451
Synonyms:
(S)-2-(4-fluorophenyl)-7-(quinuclidin-3-yl)-7,8-dihydropyrazolo[3,4,5-de]isoquinolin-6(2H)-one | CHEMBL1643892 | US8501729, 10
Type:
Small organic molecule
Emp. Form.:
C22H21FN4O
Mol. Mass.:
376.4267
SMILES:
Fc1ccc(cc1)-n1[nH]c2cn([C@@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wD:12.12,(46.59,-23.52,;46.04,-22.08,;44.52,-21.83,;43.97,-20.4,;44.95,-19.21,;46.46,-19.44,;47.01,-20.88,;44.4,-17.77,;45.43,-16.02,;44.28,-14.98,;44.28,-13.44,;42.94,-12.67,;42.94,-11.13,;41.6,-10.37,;41.61,-8.83,;42.94,-8.06,;44.27,-8.83,;44.27,-10.36,;42.77,-9.86,;43.09,-9.22,;41.62,-13.44,;40.27,-12.65,;41.61,-14.99,;40.28,-15.76,;40.28,-17.3,;41.62,-18.07,;42.94,-17.3,;42.95,-15.75,)|
Structure:
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