Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 2A
Ligand
BDBM50207114
Substrate
n/a
Meas. Tech.
ChEBML_1630052
Ki
0.280000±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:
BDBM50207114
Synonyms:
CHEMBL3892440
Type:
Small organic molecule
Emp. Form.:
C20H30N4O2S2
Mol. Mass.:
422.608
SMILES:
CS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:8.8,wD:5.4,(36.84,-35.7,;35.3,-35.71,;33.84,-36.21,;35,-37.22,;34.52,-34.39,;32.98,-34.41,;32.2,-33.08,;30.66,-33.1,;29.9,-34.44,;28.37,-34.46,;27.58,-33.13,;26.04,-33.15,;25.26,-31.83,;23.72,-31.84,;22.96,-33.18,;23.74,-34.51,;25.29,-34.49,;21.43,-33.2,;20.53,-34.46,;19.07,-33.99,;19.05,-32.45,;17.9,-31.44,;18.2,-29.93,;19.66,-29.44,;20.81,-30.45,;20.51,-31.96,;30.68,-35.76,;32.23,-35.75,)|
Structure:
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