Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 2A
Ligand
BDBM180709
Substrate
n/a
Meas. Tech.
Radioligand Binding Assay
Ki
1.724±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:
BDBM180709
Synonyms:
US8829029, 9
Type:
Small organic molecule
Emp. Form.:
C31H40FN3O3
Mol. Mass.:
521.666
SMILES:
CC(C)(C)Oc1ccc(cc1)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2noc3cc(F)ccc23)CC1 |r,wU:14.14,wD:17.18,(5.64,-1.05,;7.18,-1.05,;6.1,-2.14,;8.67,-1.45,;6.79,.44,;6.39,1.93,;4.9,2.32,;4.5,3.81,;5.59,4.9,;7.08,4.5,;7.48,3.01,;5.19,6.39,;6.28,7.48,;3.7,6.79,;2.62,5.7,;3.01,4.21,;1.93,3.12,;.44,3.52,;-.65,2.43,;-2.14,2.83,;-3.23,1.74,;-2.83,.25,;-3.92,-.84,;-5.41,-.44,;-5.8,1.05,;-4.72,2.14,;-6.49,-1.53,;-7.98,-1.13,;-8.67,-3.7,;-7.18,-4.1,;-6.79,-5.59,;-5.3,-5.99,;-4.9,-7.48,;-4.21,-4.9,;-4.61,-3.41,;-6.1,-3.01,;.04,5.01,;1.13,6.1,)|
Structure:
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