Reaction Details  Report a problem with these data
Target
5-hydroxytryptamine receptor 2A
Ligand
BDBM50207109
Substrate
n/a
Meas. Tech.
ChEMBL_1630052 (CHEMBL3872758)
Ki
0.600000±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:
BDBM50207109
Synonyms:
CHEMBL3960785
Type:
Small organic molecule
Emp. Form.:
C22H33N5OS
Mol. Mass.:
415.595
SMILES:
CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:6.5,wD:9.9,(9.38,-16.11,;10.15,-17.44,;9.38,-18.77,;11.69,-17.44,;12.46,-18.77,;12.46,-16.11,;14,-16.11,;14.77,-14.78,;16.31,-14.78,;17.08,-16.11,;18.62,-16.11,;19.38,-14.78,;20.92,-14.78,;21.7,-13.44,;23.24,-13.44,;24,-14.78,;23.24,-16.11,;21.7,-16.11,;25.54,-14.78,;26.45,-16.02,;27.91,-15.54,;27.91,-14,;29.06,-12.97,;28.73,-11.46,;27.27,-10.99,;26.12,-12.02,;26.45,-13.53,;16.31,-17.44,;14.77,-17.44,)|
Structure:
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