Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetSerotonin 3 (5-HT3) receptor
LigandBDBM50014548
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1350971
EC50 178±n/a nM
Citation Manning, DDGuo, CZhang, ZRyan, KNNaginskaya, JChoo, SHMasih, LEarley, WGWierschke, JDNewman, ASBrady, CABarnes, NMGuzzo, PR The discovery of diazepinone-based 5-HT3 receptor partial agonists. Bioorg Med Chem Lett24:2578-81 (2014) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Serotonin 3 (5-HT3) receptor
Name:Serotonin 3 (5-HT3) receptor
Synonyms:5-HT-3 | 5-HT3 | 5-HT3A | 5-HT3R | 5-hydroxytryptamine receptor 3 (5-HT3) | 5-hydroxytryptamine receptor 3A | 5-hydroxytryptamine receptor 3A (5-HT3a) | 5-hydroxytryptamine receptor 3A (5HT3A) | HTR3A | 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:
BDBM50014548
NameBDBM50014548
Synonyms:CHEMBL3261479 | US9045501, 2
TypeSmall organic molecule
Emp. Form.C18H21N3O
Mol. Mass.295.3788
SMILESO=C1N(CCn2ccc3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wD:14.16,(3.92,-9.95,;5.4,-10.4,;6.45,-9.26,;7.99,-9.38,;8.86,-10.65,;8.41,-12.12,;9.35,-13.46,;8.44,-14.72,;6.97,-14.24,;5.64,-15.01,;4.3,-14.24,;4.31,-12.7,;5.63,-11.93,;6.97,-12.69,;5.89,-7.83,;4.36,-7.6,;3.8,-6.16,;4.76,-4.96,;6.28,-5.2,;6.84,-6.62,;5.89,-5.59,;5.13,-6.93,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a
NameBDBM50014548
Synonyms:CHEMBL3261479 | US9045501, 2
TypeSmall organic molecule
Emp. Form.C18H21N3O
Mol. Mass.295.3788
SMILESO=C1N(CCn2ccc3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wD:14.16,(3.92,-9.95,;5.4,-10.4,;6.45,-9.26,;7.99,-9.38,;8.86,-10.65,;8.41,-12.12,;9.35,-13.46,;8.44,-14.72,;6.97,-14.24,;5.64,-15.01,;4.3,-14.24,;4.31,-12.7,;5.63,-11.93,;6.97,-12.69,;5.89,-7.83,;4.36,-7.6,;3.8,-6.16,;4.76,-4.96,;6.28,-5.2,;6.84,-6.62,;5.89,-5.59,;5.13,-6.93,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: