Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 2A
Ligand
BDBM141838
Substrate
n/a
Meas. Tech.
Radioligand Binding Assay
Ki
2.69±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:
BDBM141838
Synonyms:
US8921397, 80
Type:
Small organic molecule
Emp. Form.:
C32H42N2O2
Mol. Mass.:
486.6881
SMILES:
CC(C)Cc1ccc(cc1)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2coc3ccccc23)CC1 |r,wU:16.17,wD:13.13,(12.92,,;11.38,,;10.61,-1.33,;10.61,1.33,;9.07,1.33,;8.3,,;6.76,,;5.99,1.33,;6.76,2.67,;8.3,2.67,;4.45,1.33,;3.68,2.67,;3.68,,;2.14,,;1.37,1.33,;-.17,1.33,;-.94,,;-2.48,,;-3.25,-1.33,;-4.79,-1.33,;-5.56,-2.67,;-7.1,-2.67,;-7.87,-1.33,;-7.1,,;-5.56,,;-9.41,-1.33,;-10.31,-2.58,;-11.78,-2.1,;-11.78,-.56,;-12.92,.47,;-12.6,1.97,;-11.14,2.45,;-9.99,1.42,;-10.31,-.09,;-.17,-1.33,;1.37,-1.33,)|
Structure:
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