Reaction Details  Report a problem with these data
Target
5-hydroxytryptamine receptor 3A
Ligand
BDBM50309878
Substrate
n/a
Meas. Tech.
ChEMBL_611799 (CHEMBL1066456)
Ki
2117±n/a nM
Citation
 O'Donnell, CJ; Rogers, BN; Bronk, BS; Bryce, DK; Coe, JW; Cook, KK; Duplantier, AJ; Evrard, E; Hajós, M; Hoffmann, WE; Hurst, RS; Maklad, N; Mather, RJ; McLean, S; Nedza, FM; O'Neill, BT; Peng, L; Qian, W; Rottas, MM; Sands, SB; Schmidt, AW; Shrikhande, AV; Spracklin, DK; Wong, DF; Zhang, A; Zhang, L Discovery of 4-(5-methyloxazolo[4,5-b]pyridin-2-yl)-1,4-diazabicyclo[3.2.2]nonane (CP-810,123), a novel alpha 7 nicotinic acetylcholine receptor agonist for the treatment of cognitive disorders in schizophrenia: synthesis, SAR development, and in vivo efficacy in cognition models. J Med Chem 53:1222-37 (2010) [PubMed]  Article
Target
Name:
5-hydroxytryptamine receptor 3A
Synonyms:
5-HT-3 | 5-HT3-A | 5-HT3A | 5-HT3A Serotonin Receptor | 5-HT3R | 5-hydroxytryptamine receptor 3 | 5-hydroxytryptamine receptor 3A | 5HT3A_MOUSE | 5ht3 | Htr3 | Htr3a | Serotonin 3 receptor (5HT3) | Serotonin 3a (5-HT3a) receptor | Serotonin receptor 3A | Serotonin-gated ion channel receptor
Type:
n/a
Mol. Mass.:
56056.00
Organism:
Mus musculus (house mouse)
Description:
5HT3A
Residue:
487
Sequence:
MRLCIPQVLLALFLSMLTAPGEGSRRRATQEDTTQPALLRLSDHLLANYKKGVRPVRDWRKPTTVSIDVIMYAILNVDEKNQVLTTYIWYRQYWTDEFLQWTPEDFDNVTKLSIPTDSIWVPDILINEFVDVGKSPNIPYVYVHHRGEVQNYKPLQLVTACSLDIYNFPFDVQNCSLTFTSWLHTIQDINITLWRSPEEVRSDKSIFINQGEWELLEVFPQFKEFSIDISNSYAEMKFYVIIRRRPLFYAVSLLLPSIFLMVVDIVGFCLPPDSGERVSFKITLLLGYSVFLIIVSDTLPATIGTPLIGVYFVVCMALLVISLAETIFIVRLVHKQDLQRPVPDWLRHLVLDRIAWILCLGEQPMAHRPPATFQANKTDDCSGSDLLPAMGNHCSHVGGPQDLEKTPRGRGSPLPPPREASLAVRGLLQELSSIRHFLEKRDEMREVARDWLRVGYVLDRLLFRIYLLAVLAYSITLVTLWSIWHYS
  
Inhibitor
Name:
BDBM50309878
Synonyms:
4-(6-Phenyloxazolo[4,5-b]pyridin-2-yl)-1,4-diazabicyclo[3.2.2]-nonane | CHEMBL606383
Type:
Small organic molecule
Emp. Form.:
C19H20N4O
Mol. Mass.:
320.3883
SMILES:
C1CN2CCC1N(CC2)c1nc2ncc(cc2o1)-c1ccccc1 |TLB:9:6:0.1:4.3,(.58,-33.05,;-.04,-34.19,;.04,-35.89,;-.95,-36.59,;-.65,-35.16,;.64,-34.46,;2.04,-35.08,;2.41,-36.54,;1.4,-35.82,;3.36,-34.31,;4.85,-34.72,;5.7,-33.44,;7.22,-33.21,;7.78,-31.77,;6.8,-30.57,;5.29,-30.81,;4.74,-32.24,;3.3,-32.78,;7.56,-29.22,;9.11,-29.2,;9.86,-27.86,;9.07,-26.53,;7.52,-26.55,;6.77,-27.9,)|
Structure:
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