Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 2A
Ligand
BDBM138468
Substrate
n/a
Meas. Tech.
Radioligand Binding Assay
Ki
56.1±n/a nM
Citation
 Rodriguez Sarmiento, RM; Wichmann, J Benzofurane compounds US Patent  US8877778 Publication Date 11/4/2014 
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:
BDBM138468
Synonyms:
US8877778, 72
Type:
Small organic molecule
Emp. Form.:
C26H40N2O3
Mol. Mass.:
428.6074
SMILES:
CC(C)(O)CC(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCCc23)CC1 |r,wU:8.7,wD:11.11,(7.62,-1.59,;8.96,-.82,;9.73,-2.15,;10.29,-.05,;8.19,.52,;6.65,.52,;5.88,-.82,;5.88,1.85,;4.34,1.85,;3.57,.52,;2.03,.52,;1.26,1.85,;-.28,1.85,;-1.05,.52,;-2.59,.52,;-3.36,-.82,;-4.9,-.82,;-5.67,.52,;-4.9,1.85,;-3.36,1.85,;-7.21,.52,;-7.98,1.85,;-9.52,1.85,;-10.29,.52,;-9.52,-.82,;-10,-2.28,;-8.75,-3.19,;-7.51,-2.28,;-7.98,-.82,;2.03,3.19,;3.57,3.19,)|
Structure:
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