Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 2A
Ligand
BDBM463328
Substrate
n/a
Meas. Tech.
[125I]DOI Radioligand Binding Assay
IC50
1.10±n/a nM
Citation
 Teegarden, B; Xiong, Y; Strah-Pleynet, S; Jayakumar, H; Dosa, PI; Feichtinger, K; Casper, M; Lehmann, J; Jones, RM; Unett, DJ; Choi, JS 3-phenyl-pyrazole derivatives as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto US Patent  US10781180 Publication Date 9/22/2020 
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:
BDBM463328
Synonyms:
[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-carbamic acid isobutyl ester | US10781180, Compound 23
Type:
Small organic molecule
Emp. Form.:
C21H29BrN4O3
Mol. Mass.:
465.384
SMILES:
CCC(C)OC(=O)Nc1ccc(OCCN2CCCC2)c(c1)-c1c(Br)cnn1C |(-4,6.93,;-2.67,6.16,;-1.33,6.93,;-1.33,8.47,;,6.16,;,4.62,;-1.33,3.85,;1.33,3.85,;1.33,2.31,;,1.54,;;1.33,-.77,;1.33,-2.31,;0,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-4.07,-2.45,;-5.1,-3.6,;-4.33,-4.93,;-2.83,-4.61,;2.67,,;2.67,1.54,;4,-.77,;5.41,-.14,;5.73,1.36,;6.44,-1.29,;5.67,-2.62,;4.16,-2.3,;3.02,-3.33,)|
Structure:
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