Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 3A
Ligand
BDBM99934
Substrate
n/a
Meas. Tech.
Radioligand Binding Assay
pH
7.5±0
Ki
3±0.0 nM
Citation
 Manning, DD; Cioffi, CL 5-HT3 receptor modulators, methods of making, and use thereof US Patent  US8501729 Publication Date 8/6/2013 
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:
BDBM99934
Synonyms:
US8501729, 29
Type:
Small organic molecule
Emp. Form.:
C17H20N4O
Mol. Mass.:
296.3669
SMILES:
O=C1N(CCc2n[nH]c3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wD:14.16,(-7.62,1.93,;-6.13,1.53,;-5.09,2.66,;-3.55,2.55,;-2.68,1.27,;-3.11,-.28,;-2.2,-1.53,;-3.11,-2.78,;-4.57,-2.3,;-5.9,-3.07,;-7.24,-2.3,;-7.24,-.76,;-5.9,.01,;-4.57,-.76,;-5.48,4.15,;-6.97,4.55,;-7.37,6.04,;-6.28,7.12,;-4.79,6.73,;-4.4,5.24,;-5.88,4.89,;-5.88,6.43,)|
Structure:
Search PDB for entries with ligand similarity: