Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 3A
Ligand
BDBM50309870
Substrate
n/a
Meas. Tech.
ChEMBL_611799 (CHEMBL1066456)
Ki
162±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
More Info.:
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:
Mouse
Description:
5HT3A
Residue:
487
Sequence:
MRLCIPQVLLALFLSMLTAPGEGSRRRATQEDTTQPALLRLSDHLLANYKKGVRPVRDWRKPTTVSIDVIMYAILNVDEKNQVLTTYIWYRQYWTDEFLQWTPEDFDNVTKLSIPTDSIWVPDILINEFVDVGKSPNIPYVYVHHRGEVQNYKPLQLVTACSLDIYNFPFDVQNCSLTFTSWLHTIQDINITLWRSPEEVRSDKSIFINQGEWELLEVFPQFKEFSIDISNSYAEMKFYVIIRRRPLFYAVSLLLPSIFLMVVDIVGFCLPPDSGERVSFKITLLLGYSVFLIIVSDTLPATIGTPLIGVYFVVCMALLVISLAETIFIVRLVHKQDLQRPVPDWLRHLVLDRIAWILCLGEQPMAHRPPATFQANKTDDCSGSDLLPAMGNHCSHVGGPQDLEKTPRGRGSPLPPPREASLAVRGLLQELSSIRHFLEKRDEMREVARDWLRVGYVLDRLLFRIYLLAVLAYSITLVTLWSIWHYS
Inhibitor
Name:
BDBM50309870
Synonyms:
4-Oxazolo[5,4-c]pyridin-2-yl-1,4-diazabicyclo[3.2.2]nonane | CHEMBL598045
Type:
Small organic molecule
Emp. Form.:
C13H16N4O
Mol. Mass.:
244.2923
SMILES:
C1CN2CCC1N(CC2)c1nc2ccncc2o1 |TLB:9:6:0.1:4.3,(2.9,-13.33,;2.28,-14.48,;2.36,-16.19,;1.37,-16.9,;1.67,-15.45,;2.96,-14.75,;4.37,-15.37,;4.74,-16.84,;3.74,-16.12,;5.71,-14.6,;7.2,-15.01,;8.06,-13.72,;9.59,-13.49,;10.15,-12.04,;9.18,-10.83,;7.65,-11.07,;7.09,-12.51,;5.65,-13.06,)|