Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 2A
Ligand
BDBM180721
Substrate
n/a
Meas. Tech.
Radioligand Binding Assay
Ki
2.953±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:
BDBM180721
Synonyms:
US8829029, 21
Type:
Small organic molecule
Emp. Form.:
C30H38FN3O4
Mol. Mass.:
523.6388
SMILES:
COc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCC(CC3)c3noc4cc(F)ccc34)CC2)cc(OC)c1 |r,wU:9.8,wD:12.12,(10.45,5.88,;8.96,6.28,;7.88,5.19,;6.39,5.59,;5.3,4.5,;3.81,4.9,;3.41,6.39,;4.5,7.48,;1.93,6.79,;.84,5.7,;1.23,4.21,;.15,3.12,;-1.34,3.52,;-2.43,2.43,;-3.92,2.83,;-5.01,1.74,;-4.61,.25,;-5.7,-.84,;-7.18,-.44,;-7.58,1.05,;-6.49,2.14,;-8.27,-1.53,;-9.76,-1.13,;-10.45,-3.7,;-8.96,-4.1,;-8.57,-5.59,;-7.08,-5.99,;-6.68,-7.48,;-5.99,-4.9,;-6.39,-3.41,;-7.88,-3.01,;-1.74,5.01,;-.65,6.1,;5.7,3.01,;7.18,2.62,;7.58,1.13,;9.07,.73,;8.27,3.7,)|
Structure:
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