Reaction Details  Report a problem with these data
Target
5-hydroxytryptamine receptor 3A
Ligand
BDBM50329727
Substrate
n/a
Meas. Tech.
ChEMBL_674333 (CHEMBL1274533)
Ki
32.7±n/a nM
Citation
 Yang, Z; Fairfax, DJ; Maeng, JH; Masih, L; Usyatinsky, A; Hassler, C; Isaacson, S; Fitzpatrick, K; DeOrazio, RJ; Chen, J; Harding, JP; Isherwood, M; Dobritsa, S; Christensen, KL; Wierschke, JD; Bliss, BI; Peterson, LH; Beer, CM; Cioffi, C; Lynch, M; Rennells, WM; Richards, JJ; Rust, T; Khmelnitsky, YL; Cohen, ML; Manning, DD Discovery of 2-substituted benzoxazole carboxamides as 5-HT3 receptor antagonists. Bioorg Med Chem Lett 20:6538-41 (2010) [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:
BDBM50329727
Synonyms:
(S)-2-cyclopropyl-N-(quinuclidin-3-yl)benzo[d]oxazole-4-carboxamide | CHEMBL1272072
Type:
Small organic molecule
Emp. Form.:
C18H21N3O2
Mol. Mass.:
311.3782
SMILES:
O=C(N[C@@H]1CN2CCC1CC2)c1cccc2oc(nc12)C1CC1 |r,wD:3.2,TLB:2:3:7.6:9.10,(3.1,1.5,;4.44,.73,;5.77,1.51,;5.77,3.05,;5.57,4.43,;7.04,5.08,;8.39,4.47,;8.67,3.07,;7.3,3.71,;7.56,5.61,;7.11,6.71,;4.44,-.81,;3.11,-1.58,;3.11,-3.13,;4.45,-3.9,;5.78,-3.12,;7.25,-3.6,;8.17,-2.35,;7.25,-1.09,;5.78,-1.57,;9.7,-2.34,;11.04,-3.11,;11.03,-1.57,)|
Structure:
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