Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 2A
Ligand
BDBM180707
Substrate
n/a
Meas. Tech.
Radioligand Binding Assay
Ki
2.087±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:
BDBM180707
Synonyms:
US8829029, 7
Type:
Small organic molecule
Emp. Form.:
C29H34FN3O4
Mol. Mass.:
507.5964
SMILES:
Fc1ccc2c(noc2c1)C1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)Cc2ccc3OCOc3c2)CC1 |r,wU:19.24,wD:16.17,(-6.64,-7.48,;-7.03,-5.99,;-5.95,-4.9,;-6.34,-3.41,;-7.83,-3.01,;-8.23,-1.53,;-9.72,-1.13,;-10.41,-3.7,;-8.92,-4.1,;-8.52,-5.59,;-7.14,-.44,;-5.65,-.84,;-4.56,.25,;-4.96,1.74,;-3.87,2.83,;-2.39,2.43,;-1.3,3.52,;.19,3.12,;1.28,4.21,;.88,5.7,;-.61,6.1,;-1.7,5.01,;1.97,6.79,;3.46,6.39,;4.55,7.48,;3.86,4.9,;5.34,4.5,;5.74,3.01,;7.23,2.62,;8.32,3.7,;9.86,3.62,;10.41,5.06,;9.21,6.03,;7.92,5.19,;6.43,5.59,;-6.45,2.14,;-7.54,1.05,)|
Structure:
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