Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 2A
Ligand
BDBM107511
Substrate
n/a
Meas. Tech.
Biochemical Assay
Ki
9.02±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:
BDBM107511
Synonyms:
US8598357, 14
Type:
Small organic molecule
Emp. Form.:
C28H33N3O3
Mol. Mass.:
459.5799
SMILES:
O=C(N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1)c1ccc(cc1)C#N |r,wU:3.2,wD:6.6,(3.85,-.82,;4.62,.52,;3.85,1.85,;2.31,1.85,;1.54,.52,;,.52,;-.77,1.85,;-2.31,1.85,;-3.08,.52,;-4.62,.52,;-5.39,-.82,;-6.93,-.82,;-7.7,.52,;-6.93,1.85,;-5.39,1.85,;-9.24,.52,;-10.01,1.85,;-11.55,1.85,;-12.32,.52,;-11.55,-.82,;-12.03,-2.28,;-10.78,-3.19,;-9.53,-2.28,;-10.01,-.82,;,3.19,;1.54,3.19,;6.16,.52,;6.93,-.82,;8.47,-.82,;9.24,.52,;8.47,1.85,;6.93,1.85,;10.78,.52,;12.32,.52,)|
Structure:
Search PDB for entries with ligand similarity: