Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
Target5-hydroxytryptamine receptor 3A
LigandBDBM50329757
Substrate/Competitorn/a
Meas. Tech.ChEMBL_674333 (CHEMBL1274533)
Ki 36.4±n/a nM
Citation Yang, ZFairfax, DJMaeng, JHMasih, LUsyatinsky, AHassler, CIsaacson, SFitzpatrick, KDeOrazio, RJChen, JHarding, JPIsherwood, MDobritsa, SChristensen, KLWierschke, JDBliss, BIPeterson, LHBeer, CMCioffi, CLynch, MRennells, WMRichards, JJRust, TKhmelnitsky, YLCohen, MLManning, DD Discovery of 2-substituted benzoxazole carboxamides as 5-HT3 receptor antagonists. Bioorg Med Chem Lett20:6538-41 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
5-hydroxytryptamine receptor 3A
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:
MLLWVQQALLALLLPTLLAQGEARRSRNTTRPALLRLSDYLLTNYRKGVRPVRDWRKPTT
VSIDVIVYAILNVDEKNQVLTTYIWYRQYWTDEFLQWNPEDFDNITKLSIPTDSIWVPDI
LINEFVDVGKSPNIPYVYIRHQGEVQNYKPLQVVTACSLDIYNFPFDVQNCSLTFTSWLH
TIQDINISLWRLPEKVKSDRSVFMNQGEWELLGVLPYFREFSMESSNYYAEMKFYVVIRR
RPLFYVVSLLLPSIFLMVMDIVGFYLPPNSGERVSFKITLLLGYSVFLIIVSDTLPATAI
GTPLIGVYFVVCMALLVISLAETIFIVRLVHKQDLQQPVPAWLRHLVLERIAWLLCLREQ
STSQRPPATSQATKTDDCSAMGNHCSHMGGPQDFEKSPRDRCSPPPPPREASLAVCGLLQ
ELSSIRQFLEKRDEIREVARDWLRVGSVLDKLLFHIYLLAVLAYSITLVMLWSIWQYA
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50329757
n/a
NameBDBM50329757
Synonyms:(S)-2-(ethylamino)-N-(quinuclidin-3-yl)benzo[d]oxazole-4-carboxamide | CHEMBL1272121
TypeSmall organic molecule
Emp. Form.C17H22N4O2
Mol. Mass.314.3822
SMILESCCNc1nc2c(cccc2o1)C(=O)N[C@@H]1CN2CCC1CC2 |r,wD:15.16,TLB:14:15:19.18:21.22,(5.36,-2.91,;3.82,-2.91,;3.05,-4.25,;1.52,-4.25,;.6,-3,;-.87,-3.48,;-2.2,-2.71,;-3.53,-3.48,;-3.54,-5.03,;-2.2,-5.8,;-.87,-5.03,;.6,-5.51,;-2.21,-1.17,;-3.55,-.41,;-.88,-.4,;-.88,1.14,;-1.08,2.52,;.39,3.17,;1.74,2.56,;2.02,1.16,;.65,1.8,;.91,3.7,;.46,4.8,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: