Reaction Details  Report a problem with these data
Target
5-hydroxytryptamine receptor 3A
Ligand
BDBM50296748
Substrate
n/a
Meas. Tech.
ChEMBL_582492 (CHEMBL1060825)
IC50
>3160±n/a nM
Citation
 O'Donnell, CJ; Peng, L; O'Neill, BT; Arnold, EP; Mather, RJ; Sands, SB; Shrikhande, A; Lebel, LA; Spracklin, DK; Nedza, FM Synthesis and SAR studies of 1,4-diazabicyclo[3.2.2]nonane phenyl carbamates--subtype selective, high affinity alpha7 nicotinic acetylcholine receptor agonists. Bioorg Med Chem Lett 19:4747-51 (2009) [PubMed]  Article
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:
BDBM50296748
Synonyms:
CHEMBL564850 | naphthalen-2-yl 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate
Type:
Small organic molecule
Emp. Form.:
C18H20N2O2
Mol. Mass.:
296.3636
SMILES:
O=C(Oc1ccc2ccccc2c1)N1CCN2CCC1CC2 |TLB:1:13:18.17:20.21,(26.32,-21.11,;26.59,-22.64,;28.05,-23.16,;29.23,-22.17,;28.95,-20.65,;30.13,-19.66,;31.59,-20.18,;32.76,-19.19,;34.21,-19.71,;34.49,-21.24,;33.3,-22.23,;31.85,-21.7,;30.68,-22.7,;25.41,-23.63,;25.78,-25.11,;24.78,-24.38,;23.39,-24.45,;23.31,-22.75,;23.93,-21.59,;24,-23.01,;22.7,-23.71,;22.4,-25.16,)|
Structure:
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