Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 3A
Ligand
BDBM410119
Substrate
n/a
Meas. Tech.
Competition Binding Assay
Ki
>30000±n/a nM
Citation
 Acharya, R; Burnett, DA; Bursavich, MG; Cook, AS; Harrison, BA; McRiner, AJ Aminobenzisoxazole compounds as agonists of α7-nicotinic acetylcholine receptors US Patent  US10370370 Publication Date 8/6/2019 
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:
BDBM410119
Synonyms:
US10370370, Compound (R)-14
Type:
Small organic molecule
Emp. Form.:
C18H25N3O
Mol. Mass.:
299.4106
SMILES:
CC(C)(C)c1ccc2c(N[C@H]3CN4CCC3CC4)noc2c1 |r,wU:10.9,TLB:9:10:13.14:16.17,(2,.61,;2.54,-.83,;3.08,-2.28,;3.98,-.29,;1.09,-1.38,;-.1,-.4,;-1.54,-.94,;-1.79,-2.46,;-3.09,-3.28,;-4.52,-2.72,;-5.73,-3.68,;-5.44,-5.1,;-6.84,-4.46,;-6.58,-2.52,;-7.03,-1.39,;-7.11,-3.06,;-8.61,-3.72,;-8.41,-5.13,;-2.86,-4.81,;-1.41,-4.89,;-.6,-3.43,;.84,-2.89,)|
Structure:
Search PDB for entries with ligand similarity: