Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 3A
Ligand
BDBM99931
Substrate
n/a
Meas. Tech.
Radioligand Binding Assay
pH
7.5±0
Ki
2±0.0 nM
Citation
 Manning, DD; Cioffi, 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:
BDBM99931
Synonyms:
US8501729, 26
Type:
Small organic molecule
Emp. Form.:
C20H26N4O
Mol. Mass.:
338.4466
SMILES:
CC(C)n1nc2CCN([C@@H]3CN4CCC3CC4)C(=O)c3cccc1c23 |r,wD:9.8,(3.2,-5.55,;1.71,-5.15,;.62,-6.24,;1.31,-3.66,;2.22,-2.42,;1.31,-1.17,;1.74,.39,;.87,1.66,;-.67,1.78,;-1.06,3.26,;-2.55,3.66,;-2.95,5.15,;-1.86,6.24,;-.37,5.84,;.02,4.35,;-1.46,4.01,;-1.46,5.55,;-1.71,.65,;-3.2,1.05,;-1.48,-.88,;-2.82,-1.65,;-2.82,-3.19,;-1.48,-3.96,;-.15,-3.19,;-.15,-1.65,)|
Structure:
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