Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 2A
Ligand
BDBM141842
Substrate
n/a
Meas. Tech.
Radioligand Binding Assay
Ki
2.15±n/a nM
Citation
 Rodriguez Sarmiento, RM; Wichmann, J Benzofurane-piperidine compounds US Patent  US8921397 Publication Date 12/30/2014 
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:
BDBM141842
Synonyms:
US8921397, 84
Type:
Small organic molecule
Emp. Form.:
C31H38N2O2
Mol. Mass.:
470.6456
SMILES:
O=C(N[C@H]1CC[C@H](CCN2CCC(CC2)c2coc3ccccc23)CC1)c1ccc(cc1)C1CC1 |r,wU:6.6,wD:3.2,(4.17,2.67,;4.94,1.33,;4.17,,;2.63,,;1.86,1.33,;.32,1.33,;-.45,,;-1.99,,;-2.76,-1.33,;-4.3,-1.33,;-5.07,-2.67,;-6.61,-2.67,;-7.38,-1.33,;-6.61,,;-5.07,,;-8.92,-1.33,;-9.82,-2.58,;-11.29,-2.1,;-11.29,-.56,;-12.43,.47,;-12.11,1.97,;-10.65,2.45,;-9.5,1.42,;-9.82,-.09,;.32,-1.33,;1.86,-1.33,;6.48,1.33,;7.25,,;8.79,,;9.56,1.33,;8.79,2.67,;7.25,2.67,;11.1,1.33,;12.43,.56,;12.43,2.1,)|
Structure:
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