Reaction Details  Report a problem with these data
Target
5-hydroxytryptamine receptor 2A
Ligand
BDBM50207146
Substrate
n/a
Meas. Tech.
ChEMBL_1630052 (CHEMBL3872758)
Ki
0.360000±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:
BDBM50207146
Synonyms:
CHEMBL3929168
Type:
Small organic molecule
Emp. Form.:
C26H38N4OS
Mol. Mass.:
454.671
SMILES:
O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)C1CCCCC1 |r,wU:3.2,wD:6.6,(15.11,-24.25,;14.71,-22.76,;15.73,-21.63,;17.27,-21.94,;18.29,-20.81,;19.78,-21.12,;20.25,-22.56,;21.78,-22.92,;22.81,-21.74,;24.3,-22.1,;24.76,-23.53,;26.3,-23.84,;27.33,-22.71,;26.81,-21.28,;25.32,-20.92,;28.82,-23.02,;29.43,-24.46,;30.97,-24.31,;31.28,-22.76,;32.56,-22,;32.56,-20.45,;31.28,-19.69,;29.94,-20.45,;29.94,-22,;19.22,-23.74,;17.73,-23.43,;13.21,-22.35,;12.8,-20.86,;11.31,-20.51,;10.23,-21.59,;10.64,-23.07,;12.13,-23.48,)|
Structure:
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