Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 2A
Ligand
BDBM180716
Substrate
n/a
Meas. Tech.
Radioligand Binding Assay
Ki
2.795±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:
BDBM180716
Synonyms:
US8829029, 16
Type:
Small organic molecule
Emp. Form.:
C26H34FN5O2
Mol. Mass.:
467.5789
SMILES:
Cc1ccn(CC(=O)N[C@H]2CC[C@H](CCN3CCC(CC3)c3noc4cc(F)ccc34)CC2)n1 |r,wU:9.8,wD:12.12,(9.79,5.27,;8.45,4.5,;7.98,3.04,;6.44,3.04,;5.96,4.5,;4.47,4.9,;4.08,6.39,;5.17,7.48,;2.59,6.79,;1.5,5.7,;1.9,4.21,;.81,3.12,;-.68,3.52,;-1.77,2.43,;-3.25,2.83,;-4.34,1.74,;-3.94,.25,;-5.03,-.84,;-6.52,-.44,;-6.92,1.05,;-5.83,2.14,;-7.61,-1.53,;-9.1,-1.13,;-9.79,-3.7,;-8.3,-4.1,;-7.9,-5.59,;-6.41,-5.99,;-6.02,-7.48,;-5.33,-4.9,;-5.72,-3.41,;-7.21,-3.01,;-1.08,5.01,;.01,6.1,;7.21,5.41,)|
Structure:
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