Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 3A
Ligand
BDBM50206245
Substrate
n/a
Meas. Tech.
ChEMBL_1628644 (CHEMBL3871229)
IC50
71000±n/a nM
Citation
 Hill, MD; Fang, H; King, HD; Iwuagwu, CI; McDonald, IM; Cook, J; Zusi, FC; Mate, RA; Knox, RJ; Post-Munson, D; Easton, A; Miller, R; Lentz, K; Clarke, W; Benitex, Y; Lodge, N; Zaczek, R; Denton, R; Morgan, D; Bristow, L; Macor, JE; Olson, R Development of 4-Heteroarylamino-1'-azaspiro[oxazole-5,3'-bicyclo[2.2.2]octanes] asa7 Nicotinic Receptor Agonists. ACS Med Chem Lett 8:133-137 (2017) [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:
BDBM50206245
Synonyms:
CHEMBL3907100
Type:
Small organic molecule
Emp. Form.:
C16H20N6O
Mol. Mass.:
312.3696
SMILES:
Cc1ccc2c(NC3=NC[C@@]4(CN5CCC4CC5)O3)ncnn12 |r,wU:10.19,t:7,TLB:18:10:13.14:17.16,THB:9:10:13.14:17.16,(41.57,-46.49,;40.04,-46.57,;39.07,-45.37,;37.63,-45.93,;37.71,-47.46,;36.63,-48.56,;35.14,-48.16,;34.05,-49.25,;34.29,-50.77,;32.92,-51.47,;31.83,-50.38,;31.1,-51.65,;29.82,-51.07,;29.82,-49.15,;30.66,-48.07,;30.66,-49.69,;29.09,-50.37,;28.3,-51.56,;32.53,-49,;37.02,-50.04,;38.5,-50.44,;39.6,-49.36,;39.2,-47.86,)|
Structure:
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