Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 2A
Ligand
BDBM180698
Substrate
n/a
Meas. Tech.
Radioligand Binding Assay
Ki
1.739±n/a nM
Citation
 Gobbi, L; Jaeschke, G; Roche, O; Sarmiento, RM; Steward, L Dual modulators of 5HT2A and D3 receptors US Patent  US8829029 Publication Date 9/9/2014 
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:
BDBM180698
Synonyms:
US8829029, 2
Type:
Small organic molecule
Emp. Form.:
C26H36FN3O3
Mol. Mass.:
457.5807
SMILES:
Fc1ccc2c(noc2c1)C1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)C2CCOCC2)CC1 |r,wU:19.24,wD:16.17,(-6,-5.78,;-6,-4.24,;-4.67,-3.47,;-4.67,-1.93,;-6,-1.16,;-6,.38,;-7.34,1.15,;-8.67,-1.16,;-7.34,-1.93,;-7.34,-3.47,;-4.67,1.15,;-3.33,.38,;-2,1.15,;-2,2.69,;-.67,3.46,;.67,2.69,;2,3.46,;3.33,2.69,;4.67,3.46,;4.67,5,;3.33,5.78,;2,5,;6,5.77,;7.34,5,;8.67,5.77,;7.34,3.46,;6,2.69,;6,1.15,;7.34,.38,;8.67,1.15,;8.67,2.69,;-3.33,3.46,;-4.67,2.69,)|
Structure:
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