Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
Target5-hydroxytryptamine receptor 3A
LigandBDBM50211199
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1636028 (CHEMBL3878926)
IC50 11000±n/a nM
Citation Cook, JZusi, FCMcDonald, IMKing, DHill, MDIwuagwu, CMate, RAFang, HZhao, RWang, BCutrone, JMa, BGao, QKnox, RJMatchett, MGallagher, LFerrante, MPost-Munson, DMolski, TEaston, AMiller, RJones, KDigavalli, SHealy, FLentz, KBenitex, YClarke, WNatale, JSiuciak, JALodge, NZaczek, RDenton, RMorgan, DBristow, LJMacor, JEOlson, RE Design and Synthesis of a New Series of 4-Heteroarylamino-1'-azaspiro[oxazole-5,3'-bicyclo[2.2.2]octanes asa7 Nicotinic Receptor Agonists. 1. Development of Pharmacophore and Early Structure-Activity Relationship. J Med Chem59:11171-11181 (2016) [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:
BDBM50211199
n/a
NameBDBM50211199
Synonyms:CHEMBL3953577
TypeSmall organic molecule
Emp. Form.C16H18N4O2S
Mol. Mass.330.405
SMILESOc1ccc2nc(NC3=NCC4(CN5CCC4CC5)O3)sc2c1 |t:8,THB:19:11:14.15:18.17,(85.99,-.78,;84.9,-1.87,;85.31,-3.36,;84.22,-4.44,;82.74,-4.04,;81.46,-4.89,;80.25,-3.92,;78.77,-4.33,;78.37,-5.81,;79.34,-7.01,;78.51,-8.3,;77.02,-7.91,;77.32,-9.43,;75.83,-8.74,;74.17,-9.46,;73.95,-7.95,;75.55,-7.26,;75.63,-5.47,;76.1,-6.68,;76.94,-6.37,;80.81,-2.48,;82.35,-2.56,;83.42,-1.48,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: