Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 3A
Ligand
BDBM50363296
Substrate
n/a
Meas. Tech.
ChEMBL_800919 (CHEMBL1948646)
Ki
208±n/a nM
Citation
 Simonin, J; Vernekar, SK; Thompson, AJ; Hothersall, JD; Connolly, CN; Lummis, SC; Lochner, M High-affinity fluorescent ligands for the 5-HT(3) receptor. Bioorg Med Chem Lett 22:1151-5 (2012) [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:
BDBM50363296
Synonyms:
CHEMBL1946302
Type:
Small organic molecule
Emp. Form.:
C45H48N6O9S
Mol. Mass.:
848.962
SMILES:
CN1[C@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(C)c2c(OCCOCCOCCNC(=S)Nc3ccc(c(c3)C(O)=O)-c3c4ccc(O)cc4oc4cc(=O)ccc34)cccc12 |r,wU:2.1,6.6,TLB:0:1:3.4.5:7.8.9,(27.71,-22.83,;26.88,-24.13,;26.59,-25.6,;26.61,-27.43,;25.1,-27.71,;25.89,-26.66,;25.84,-24.9,;24.15,-24.84,;23.86,-26.31,;24.81,-25.56,;23.39,-27.77,;21.88,-28.09,;20.85,-26.95,;21.4,-29.56,;22.32,-30.81,;21.4,-32.07,;21.88,-33.53,;19.93,-31.59,;18.6,-32.36,;18.6,-33.9,;19.93,-34.67,;19.93,-36.21,;21.26,-36.98,;22.6,-36.21,;23.93,-36.98,;25.27,-36.21,;26.6,-36.98,;27.93,-36.21,;29.27,-36.98,;30.6,-36.21,;30.63,-34.67,;31.93,-36.99,;33.27,-36.24,;34.58,-37.02,;35.93,-36.27,;35.94,-34.73,;34.61,-33.94,;33.27,-34.7,;34.62,-32.4,;33.29,-31.62,;35.02,-30.91,;37.28,-33.97,;37.29,-32.44,;35.96,-31.64,;35.99,-30.11,;37.34,-29.36,;37.37,-27.82,;38.66,-30.15,;38.64,-31.69,;39.96,-32.47,;39.94,-34.01,;41.26,-34.78,;41.23,-36.32,;42.56,-37.11,;39.9,-37.07,;38.58,-36.28,;38.6,-34.76,;17.26,-31.59,;17.26,-30.05,;18.59,-29.27,;19.93,-30.04,)|
Structure:
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