Reaction Details  Report a problem with these data
Target
5-hydroxytryptamine receptor 2A
Ligand
BDBM50207148
Substrate
n/a
Meas. Tech.
ChEMBL_1630052 (CHEMBL3872758)
Ki
0.320000±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:
BDBM50207148
Synonyms:
CHEMBL3932186
Type:
Small organic molecule
Emp. Form.:
C24H29ClN4O2S
Mol. Mass.:
473.031
SMILES:
Clc1ccc2c(nsc2c1)N1CCN(C[C@H]2CC[C@H](CNC(=O)c3ccco3)CC2)CC1 |r,wU:18.20,wD:15.16,(61.66,-13.04,;60.17,-12.64,;59.14,-13.82,;57.6,-13.46,;57.14,-12.02,;55.75,-11.41,;55.91,-9.87,;57.39,-9.56,;58.17,-10.89,;59.71,-11.2,;54.42,-12.18,;53.09,-11.41,;51.75,-12.18,;51.75,-13.72,;50.42,-14.49,;49.09,-13.72,;49.09,-12.18,;47.75,-11.41,;46.41,-12.18,;45.08,-11.41,;43.75,-12.18,;42.42,-11.41,;42.31,-9.87,;41.14,-12.23,;41.09,-13.77,;39.6,-14.18,;38.78,-12.9,;39.75,-11.66,;46.41,-13.72,;47.75,-14.49,;53.09,-14.49,;54.42,-13.72,)|
Structure:
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