Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 2A
Ligand
BDBM180754
Substrate
n/a
Meas. Tech.
Radioligand Binding Assay
Ki
4.394±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:
BDBM180754
Synonyms:
US8829029, 49
Type:
Small organic molecule
Emp. Form.:
C27H34FN3O4S
Mol. Mass.:
515.64
SMILES:
COc1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2noc3cc(F)ccc23)CC1 |r,wU:12.12,wD:15.16,(10.67,.1,;10.67,1.64,;9.34,2.41,;8,1.64,;6.67,2.41,;6.67,3.95,;8,4.72,;9.34,3.95,;5.33,4.72,;6.1,6.06,;4.56,3.39,;4,5.49,;2.67,4.72,;2.67,3.18,;1.33,2.41,;,3.18,;-1.33,2.41,;-2.67,3.18,;-4,2.41,;-4,.87,;-5.33,.1,;-6.67,.87,;-6.67,2.41,;-5.33,3.18,;-8,.1,;-9.34,.87,;-10.67,-1.44,;-9.34,-2.21,;-9.34,-3.75,;-8,-4.52,;-8,-6.06,;-6.67,-3.75,;-6.67,-2.21,;-8,-1.44,;,4.72,;1.33,5.49,)|
Structure:
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