Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 2A
Ligand
BDBM117018
Substrate
n/a
Meas. Tech.
Radioligand Binding Assay
IC50
1.000±n/a nM
Citation
 Teegarden, B; Chapman, D; Choi, J; Feichtinger, K; Han, S; Jayakumar, H; Tran, T; Xu, J; Zou, N Primary amines and derivitves thereof as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto US Patent  US9987252 Publication Date 6/5/2018 
Target
Name:
5-hydroxytryptamine receptor 2A
Synonyms:
5-HT-2 | 5-HT-2A | 5-HT2A | 5-hydroxytryptamine receptor 2A (5-HT-2A) | 5-hydroxytryptamine receptor 2A (5HT-2A) | 5-hydroxytryptamine receptor 2A (5HT2A) | 5HT2A_HUMAN | HTR2 | HTR2A | Serotonin receptor 2A
Type:
undefined
Mol. Mass.:
52607.65
Organism:
Homo sapiens (Human)
Description:
P28223
Residue:
471
Sequence:
MDILCEENTSLSSTTNSLMQLNDDTRLYSNDFNSGEANTSDAFNWTVDSENRTNLSCEGCLSPSCLSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVSFFIPLTIMVITYFLTIKSLQKEATLCVSDLGTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYTGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNEDVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENKKPLQLILVNTIPALAYKSSQLQMGQKKNSKQDAKTTDNDCSMVALGKQHSEEASKDNSDGVNEKVSCV
  
Inhibitor
Name:
BDBM117018
Synonyms:
US8664258, 197 | US9987252, 197
Type:
Small organic molecule
Emp. Form.:
C20H17ClF4N4O2
Mol. Mass.:
456.821
SMILES:
Cn1ncc(Cl)c1-c1cc(NC(=O)c2ccc(F)c(c2)C(F)(F)F)ccc1OCCN |(7.72,.46,;6.95,-.88,;7.85,-2.12,;6.95,-3.37,;5.48,-2.89,;4.15,-3.66,;5.48,-1.35,;4.15,-.58,;2.82,-1.35,;1.48,-.58,;.15,-1.35,;-1.18,-.58,;-1.18,.96,;-2.52,-1.35,;-2.52,-2.89,;-3.85,-3.66,;-5.19,-2.89,;-6.52,-3.66,;-5.19,-1.35,;-3.85,-.58,;-6.52,-.58,;-7.85,.19,;-5.75,.75,;-7.29,-1.92,;1.48,.96,;2.82,1.73,;4.15,.96,;5.48,1.73,;5.48,3.27,;6.97,3.66,;7.74,2.33,)|
Structure:
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