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Target
5-hydroxytryptamine receptor 3A
Ligand
BDBM50014557
Substrate
n/a
Meas. Tech.
ChEMBL_1350968 (CHEMBL3268497)
Ki
701±n/a nM
Citation
 Manning, DD; Guo, C; Zhang, Z; Ryan, KN; Naginskaya, J; Choo, SH; Masih, L; Earley, WG; Wierschke, JD; Newman, AS; Brady, CA; Barnes, NM; Guzzo, PR The discovery of diazepinone-based 5-HT3 receptor partial agonists. Bioorg Med Chem Lett 24:2578-81 (2014) [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:
BDBM50014557
Synonyms:
CHEMBL3261487 | US9045501, 26
Type:
Small organic molecule
Emp. Form.:
C16H20N4O3S
Mol. Mass.:
348.42
SMILES:
O=C1N(CCN2c3c(NS2(=O)=O)cccc13)[C@@H]1CN2CCC1CC2 |r,wD:16.18,(16.89,-9.61,;18.36,-10.06,;19.41,-8.91,;20.95,-9.03,;21.82,-10.31,;21.38,-11.78,;19.94,-12.35,;19.93,-13.9,;21.41,-14.38,;22.32,-13.13,;23.64,-13.91,;23.66,-12.37,;18.6,-14.67,;17.27,-13.9,;17.27,-12.36,;18.6,-11.59,;18.85,-7.48,;17.32,-7.26,;16.76,-5.82,;17.72,-4.62,;19.24,-4.85,;19.8,-6.28,;18.85,-5.25,;18.09,-6.58,)|
Structure:
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