Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 2A
Ligand
BDBM180718
Substrate
n/a
Meas. Tech.
Radioligand Binding Assay
Ki
1.444±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:
BDBM180718
Synonyms:
US8829029, 18
Type:
Small organic molecule
Emp. Form.:
C24H32FN3O3
Mol. Mass.:
429.5276
SMILES:
OC1(CC1)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2noc3cc(F)ccc23)CC1 |r,wU:7.7,wD:10.11,(7.88,5.3,;6.39,4.9,;5.99,3.41,;7.48,3.81,;5.99,6.39,;7.08,7.48,;4.5,6.79,;3.41,5.7,;3.81,4.21,;2.72,3.12,;1.23,3.52,;.15,2.43,;-1.34,2.83,;-2.43,1.74,;-2.03,.25,;-3.12,-.84,;-4.61,-.44,;-5.01,1.05,;-3.92,2.14,;-5.7,-1.53,;-7.18,-1.13,;-7.88,-3.7,;-6.39,-4.1,;-5.99,-5.59,;-4.5,-5.99,;-4.1,-7.48,;-3.41,-4.9,;-3.81,-3.41,;-5.3,-3.01,;.84,5.01,;1.93,6.1,)|
Structure:
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