Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 2A
Ligand
BDBM50207119
Substrate
n/a
Meas. Tech.
ChEMBL_1630052 (CHEMBL3872758)
Ki
4.3±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:
BDBM50207119
Synonyms:
CHEMBL3941190
Type:
Small organic molecule
Emp. Form.:
C24H31N5O2S
Mol. Mass.:
453.6
SMILES:
Nc1ccc2c(nsc2c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2ccco2)CC1 |r,wU:19.24,wD:16.17,(32.86,-20.47,;31.52,-21.25,;30.19,-20.47,;28.85,-21.25,;28.85,-22.79,;27.72,-23.81,;28.34,-25.2,;29.88,-25.05,;30.19,-23.56,;31.52,-22.79,;26.18,-23.51,;25.15,-24.64,;23.66,-24.33,;23.14,-22.84,;21.65,-22.54,;20.63,-23.66,;19.13,-23.35,;18.62,-21.86,;17.13,-21.56,;16.1,-22.69,;16.56,-24.17,;18.1,-24.49,;14.61,-22.37,;13.58,-23.56,;13.94,-25.05,;12.09,-23.15,;11.52,-21.71,;9.98,-21.76,;9.57,-23.25,;10.86,-24.12,;24.22,-21.71,;25.72,-22.02,)|
Structure:
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