Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 2A
Ligand
BDBM50207108
Substrate
n/a
Meas. Tech.
ChEMBL_1630052 (CHEMBL3872758)
Ki
0.340000±n/a nM
Citation
 Chen, XW; Sun, YY; Fu, L; Li, JQ Synthesis and pharmacological characterization of novel N-(trans-4-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)cyclohexyl)amides as potential multireceptor atypical antipsychotics. Eur J Med Chem 123:332-353 (2016) [PubMed]  Article 
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:
BDBM50207108
Synonyms:
CHEMBL3920432
Type:
Small organic molecule
Emp. Form.:
C22H34N4O2S2
Mol. Mass.:
450.661
SMILES:
CCCS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:10.10,wD:7.6,(41.02,-21.07,;39.48,-21.06,;38.71,-22.4,;37.17,-22.39,;37.16,-23.93,;35.83,-23.16,;36.4,-21.06,;34.86,-21.06,;34.09,-19.73,;32.55,-19.74,;31.79,-21.07,;30.25,-21.07,;29.47,-19.74,;27.93,-19.74,;27.16,-18.41,;25.62,-18.41,;24.86,-19.74,;25.63,-21.07,;27.17,-21.07,;23.32,-19.74,;22.42,-20.99,;20.95,-20.51,;20.95,-18.97,;19.8,-17.94,;20.13,-16.44,;21.59,-15.96,;22.73,-16.99,;22.41,-18.49,;32.55,-22.4,;34.09,-22.4,)|
Structure:
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