Reaction Details  Report a problem with these data
Target
5-hydroxytryptamine receptor 2A
Ligand
BDBM50207142
Substrate
n/a
Meas. Tech.
ChEMBL_1630052 (CHEMBL3872758)
Ki
5.8±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:
BDBM50207142
Synonyms:
CHEMBL3973487
Type:
Small organic molecule
Emp. Form.:
C21H30N4OS
Mol. Mass.:
386.554
SMILES:
CC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:4.3,wD:7.7,(11.77,-25.1,;13.32,-25.2,;14.03,-26.59,;14.08,-23.86,;15.63,-23.86,;16.4,-22.52,;17.94,-22.52,;18.71,-23.86,;20.25,-23.86,;21.02,-22.52,;22.56,-22.52,;23.33,-23.86,;24.87,-23.86,;25.64,-22.52,;24.87,-21.19,;23.33,-21.19,;27.19,-22.52,;28.11,-23.76,;29.55,-23.3,;29.55,-21.75,;30.73,-20.73,;30.37,-19.25,;28.93,-18.79,;27.8,-19.82,;28.11,-21.3,;17.94,-25.2,;16.4,-25.2,)|
Structure:
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