Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 2A
Ligand
BDBM107521
Substrate
n/a
Meas. Tech.
Biochemical Assay
Ki
28.54±0.0 nM
Citation
 Rodriguez Sarmiento, RM; Wichmann, J Benzodioxole piperidine compounds US Patent  US8598357 Publication Date 12/3/2013 
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:
BDBM107521
Synonyms:
US8598357, 24
Type:
Small organic molecule
Emp. Form.:
C25H38N2O3
Mol. Mass.:
414.5808
SMILES:
CC(C)CC(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:7.6,wD:10.10,(10.4,-.82,;8.86,-.82,;8.09,-2.15,;8.09,.52,;6.55,.52,;5.78,-.82,;5.78,1.85,;4.24,1.85,;3.47,.52,;1.93,.52,;1.16,1.85,;-.39,1.85,;-1.16,.52,;-2.7,.52,;-3.47,-.82,;-5.01,-.82,;-5.78,.52,;-5.01,1.85,;-3.47,1.85,;-7.32,.52,;-8.09,1.85,;-9.63,1.85,;-10.4,.52,;-9.63,-.82,;-10.1,-2.28,;-8.86,-3.19,;-7.61,-2.28,;-8.09,-.82,;1.93,3.19,;3.47,3.19,)|
Structure:
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