Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 3A
Ligand
BDBM50214493
Substrate
n/a
Meas. Tech.
ChEBML_3475
Ki
602±n/a nM
Citation
  TBA Bioorg Med Chem Lett 6:477-480 (1996)   
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:
BDBM50214493
Synonyms:
CHEMBL145033 | RS-16456
Type:
Small organic molecule
Emp. Form.:
C18H23ClN4O
Mol. Mass.:
346.854
SMILES:
CC(C)n1cnc2c(cc(Cl)cc12)C(=O)N[C@@H]1CN2CCC1CC2 |wD:16.17,(10.97,-11.6,;11.99,-10.46,;13.51,-10.76,;11.51,-8.99,;12.41,-7.75,;11.5,-6.49,;10.03,-6.98,;8.7,-6.21,;7.37,-7.01,;7.37,-8.55,;6.03,-9.32,;8.7,-9.32,;10.04,-8.52,;8.69,-4.67,;7.36,-3.93,;10.03,-3.9,;10.02,-2.36,;8.69,-1.62,;8.69,-.08,;10.03,.72,;11.36,-.08,;11.36,-1.59,;10.58,-.26,;9.48,-1.36,)|
Structure:
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