Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 2A
Ligand
BDBM263393
Substrate
n/a
Meas. Tech.
5-HT2A Receptor Binding Test
pH
7.7±n/a
Ki
0.490±n/a nM
Comments
extracted
Citation
 Li, J; Chen, X; Ma, Z; Zhang, L; Cui, N Benzoisothiazole compounds and methods of treating schizophrenia US Patent  US9550741 Publication Date 1/24/2017 
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:
BDBM263393
Synonyms:
US9550741, II-3
Type:
Small organic molecule
Emp. Form.:
C23H30N4O3S2
Mol. Mass.:
474.639
SMILES:
O=S(=O)(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccco1 |r,wU:4.3,wD:7.7,(-7.08,.38,;-7.08,1.92,;-7.08,3.46,;-5.75,2.69,;-4.41,1.92,;-3.08,2.7,;-1.75,1.92,;-1.75,.38,;-.41,-.39,;.92,.38,;2.26,-.39,;2.26,-1.93,;3.59,-2.7,;4.92,-1.93,;4.92,-.39,;3.59,.38,;6.26,-2.7,;6.26,-4.24,;7.72,-4.71,;8.63,-3.47,;10.16,-3.3,;10.78,-1.9,;9.88,-.65,;8.35,-.81,;7.72,-2.22,;-3.08,-.39,;-4.41,.38,;-8.41,2.69,;-8.41,4.23,;-9.88,4.71,;-10.78,3.46,;-9.88,2.22,)|
Structure:
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