Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 2A
Ligand
BDBM106539
Substrate
n/a
Meas. Tech.
Radioligand Binding Assay
Ki
23.2±0.0 nM
Citation
 Gobbi, L; Rodriguez Sarmiento, RM; Wichmann, J Anellated pyridine compounds US Patent  US8586579 Publication Date 11/19/2013 
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:
BDBM106539
Synonyms:
US8586579, 155
Type:
Small organic molecule
Emp. Form.:
C29H35N5O2
Mol. Mass.:
485.6205
SMILES:
O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1)c1ccc2ncccc2c1 |r,wU:3.2,wD:6.6,(4.23,-.82,;5,.52,;4.23,1.85,;2.7,1.85,;1.93,.52,;.39,.52,;-.39,1.85,;-1.93,1.85,;-2.7,.52,;-4.23,.52,;-5,-.82,;-6.54,-.82,;-7.31,.52,;-6.54,1.85,;-5,1.85,;-8.85,.52,;-9.62,1.85,;-11.16,1.85,;-11.93,.52,;-11.16,-.82,;-11.64,-2.28,;-10.39,-3.19,;-9.15,-2.28,;-9.62,-.82,;.39,3.19,;1.93,3.19,;6.54,.52,;7.31,1.85,;8.85,1.85,;9.62,.52,;11.16,.52,;11.93,-.82,;11.16,-2.15,;9.62,-2.15,;8.85,-.82,;7.31,-.82,)|
Structure:
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