Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 3A
Ligand
BDBM50363283
Substrate
n/a
Meas. Tech.
ChEMBL_800919 (CHEMBL1948646)
Ki
0.9±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:
BDBM50363283
Synonyms:
CHEMBL1945711
Type:
Small organic molecule
Emp. Form.:
C47H59BF2N8O4
Mol. Mass.:
848.83
SMILES:
COc1ccc(cc1)C1=[N+]2C(C=C1)=Cc1c(C)c(CCC(=O)NCCCCCC(=O)NCCCn3nc(C(=O)NC4C[C@@H]5CCC[C@@H](C4)N5C)c4ccccc34)c(C)n1[B-]2(F)F |r,c:12,14,t:9,TLB:49:48:43.44.45:47.40.41|
Structure:
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