Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 2A
Ligand
BDBM50307812
Substrate
n/a
Meas. Tech.
ChEMBL_612567 (CHEMBL1074221)
EC50
0.7±n/a nM
Citation
 Teegarden, BR; Li, H; Jayakumar, H; Strah-Pleynet, S; Dosa, PI; Selaya, SD; Kato, N; Elwell, KH; Davidson, J; Cheng, K; Saldana, H; Frazer, JM; Whelan, K; Foster, J; Espitia, S; Webb, RR; Beeley, NR; Thomsen, W; Morairty, SR; Kilduff, TS; Al-Shamma, HA Discovery of 1-[3-(4-bromo-2-methyl-2h-pyrazol-3-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea (nelotanserin) and related 5-hydroxytryptamine2A inverse agonists for the treatment of insomnia. J Med Chem 53:1923-36 (2010) [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:
BDBM50307812
Synonyms:
1-[3-(4-Bromo-2-methyl-2Hpyrazol-3-yl)-4-methoxyphenyl]-3-(4-chlorophenyl)urea | CHEMBL591223
Type:
Small organic molecule
Emp. Form.:
C18H16BrClN4O2
Mol. Mass.:
435.702
SMILES:
COc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1c(Br)cnn1C |(3.23,5.95,;3.24,4.41,;1.91,3.64,;.56,4.41,;-.76,3.63,;-.76,2.1,;-2.09,1.32,;-3.42,2.09,;-3.43,3.63,;-4.76,1.32,;-6.09,2.09,;-7.43,1.32,;-8.76,2.09,;-8.76,3.63,;-10.09,4.4,;-7.43,4.4,;-6.1,3.64,;.58,1.33,;1.91,2.1,;3.24,1.33,;3.4,-.2,;2.25,-1.22,;4.9,-.51,;5.67,.82,;4.64,1.96,;4.95,3.47,)|
Structure:
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