Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 2A
Ligand
BDBM180720
Substrate
n/a
Meas. Tech.
Radioligand Binding Assay
Ki
2.782±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:
BDBM180720
Synonyms:
US8829029, 20
Type:
Small organic molecule
Emp. Form.:
C23H29F4N3O2
Mol. Mass.:
455.4889
SMILES:
Fc1ccc2c(noc2c1)C1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)CC(F)(F)F)CC1 |r,wU:19.24,wD:16.17,(-3.7,-7.48,;-4.1,-5.99,;-3.01,-4.9,;-3.41,-3.41,;-4.9,-3.01,;-5.3,-1.53,;-6.79,-1.13,;-7.48,-3.7,;-5.99,-4.1,;-5.59,-5.59,;-4.21,-.44,;-2.72,-.84,;-1.63,.25,;-2.03,1.74,;-.94,2.83,;.54,2.43,;1.63,3.52,;3.12,3.12,;4.21,4.21,;3.81,5.7,;2.32,6.1,;1.23,5.01,;4.9,6.79,;6.39,6.39,;7.48,7.48,;6.79,4.9,;5.7,3.81,;4.61,2.72,;4.61,4.9,;6.79,2.72,;-3.52,2.14,;-4.61,1.05,)|
Structure:
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