Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 2A
Ligand
BDBM50207115
Substrate
n/a
Meas. Tech.
ChEBML_1630052
Ki
0.260000±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:
BDBM50207115
Synonyms:
CHEMBL3948056
Type:
Small organic molecule
Emp. Form.:
C26H34N4O2S2
Mol. Mass.:
498.704
SMILES:
Cc1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:11.11,wD:14.15,(9.53,-25.15,;11.07,-25.16,;11.83,-26.49,;13.37,-26.5,;14.14,-25.16,;13.38,-23.83,;11.84,-23.82,;15.69,-25.17,;15.69,-26.71,;17.02,-25.94,;16.46,-23.84,;18,-23.84,;18.77,-22.51,;20.31,-22.51,;21.08,-23.85,;22.62,-23.85,;23.39,-22.53,;24.93,-22.52,;25.7,-21.2,;27.24,-21.2,;28.01,-22.53,;27.24,-23.86,;25.7,-23.86,;29.55,-22.54,;30.45,-23.79,;31.91,-23.32,;31.91,-21.78,;33.06,-20.75,;32.74,-19.24,;31.28,-18.76,;30.14,-19.79,;30.45,-21.29,;20.31,-25.18,;18.77,-25.18,)|
Structure:
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