Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 2A
Ligand
BDBM180712
Substrate
n/a
Meas. Tech.
Radioligand Binding Assay
Ki
2.459±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:
BDBM180712
Synonyms:
US8829029, 12
Type:
Small organic molecule
Emp. Form.:
C30H38FN5O3
Mol. Mass.:
535.6528
SMILES:
Fc1ccc2c(noc2c1)C1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2ccnc(c2)N2CCOCC2)CC1 |r,wU:19.24,wD:16.17,(-6.53,-7.48,;-6.93,-5.99,;-5.84,-4.9,;-6.24,-3.41,;-7.73,-3.01,;-8.13,-1.53,;-9.62,-1.13,;-10.31,-3.7,;-8.82,-4.1,;-8.42,-5.59,;-7.04,-.44,;-5.55,-.84,;-4.46,.25,;-4.86,1.74,;-3.77,2.83,;-2.28,2.43,;-1.2,3.52,;.29,3.12,;1.38,4.21,;.98,5.7,;-.51,6.1,;-1.59,5.01,;2.07,6.79,;3.56,6.39,;4.65,7.48,;3.96,4.9,;2.87,3.81,;3.27,2.32,;4.75,1.93,;5.84,3.01,;5.44,4.5,;7.33,2.62,;7.73,1.13,;9.22,.73,;10.31,1.82,;9.91,3.31,;8.42,3.7,;-6.35,2.14,;-7.44,1.05,)|
Structure:
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