Target
5-hydroxytryptamine receptor 3A
Ligand
BDBM50211222
Substrate
n/a
Meas. Tech.
ChEMBL_1636028 (CHEMBL3878926)
IC50
64000±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 Chem 59:11171-11181 (2016) [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:
BDBM50211222
Synonyms:
CHEMBL3932288
Type:
Small organic molecule
Emp. Form.:
C18H22N4O2S
Mol. Mass.:
358.458
SMILES:
COc1ccc2nc(NC3=NCCC4(CN5CCC4CC5)O3)sc2c1 |t:9,THB:21:13:16.17:20.19,(16.33,-21.9,;14.79,-21.9,;14.02,-23.24,;14.79,-24.58,;14.02,-25.91,;12.48,-25.9,;11.46,-27.05,;10.05,-26.42,;8.71,-27.18,;8.71,-28.73,;10.04,-29.5,;10.04,-31.04,;8.71,-31.8,;7.37,-31.03,;7.68,-32.55,;6.19,-31.86,;4.54,-32.58,;4.32,-31.08,;5.92,-30.38,;5.99,-28.61,;6.47,-29.81,;7.37,-29.49,;10.21,-24.89,;11.72,-24.57,;12.49,-23.24,)|
Structure:
Search PDB for entries with ligand similarity: