Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 2A
Ligand
BDBM50207153
Substrate
n/a
Meas. Tech.
ChEMBL_1630052 (CHEMBL3872758)
Ki
3.2±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:
BDBM50207153
Synonyms:
CHEMBL3909821
Type:
Small organic molecule
Emp. Form.:
C24H35N5O2S
Mol. Mass.:
457.632
SMILES:
O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)N1CCOCC1 |r,wU:3.2,wD:6.6,(21,-21.12,;20.64,-19.63,;21.67,-18.49,;23.17,-18.8,;24.19,-17.67,;25.68,-17.98,;26.2,-19.42,;27.69,-19.78,;28.73,-18.6,;30.22,-18.96,;30.74,-20.4,;32.23,-20.71,;33.25,-19.57,;32.79,-18.14,;31.3,-17.77,;34.75,-19.89,;35.42,-21.32,;36.96,-21.17,;37.27,-19.63,;38.55,-18.85,;38.55,-17.31,;37.27,-16.54,;35.94,-17.31,;35.94,-18.85,;25.17,-20.61,;23.63,-20.3,;19.15,-19.21,;18.73,-17.72,;17.24,-17.36,;16.16,-18.44,;16.52,-19.94,;18.01,-20.35,)|
Structure:
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