Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 2A
Ligand
BDBM180702
Substrate
n/a
Meas. Tech.
Radioligand Binding Assay
Ki
3.81±n/a nM
Citation
 Gobbi, L; Jaeschke, G; Roche, O; Sarmiento, RM; Steward, L Dual modulators of 5HT2A and D3 receptors US Patent  US8829029 Publication Date 9/9/2014 
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:
BDBM180702
Synonyms:
US8829029, 4B
Type:
Small organic molecule
Emp. Form.:
C29H37FN6O3
Mol. Mass.:
536.6409
SMILES:
Fc1ccc2c(noc2c1)C1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2cnc(cn2)N2CCOCC2)CC1 |r,wU:19.24,wD:16.17,(-8.67,3.47,;-7.34,4.23,;-6,3.47,;-4.67,4.23,;-4.67,5.78,;-3.33,6.54,;-3.33,8.08,;-6,8.08,;-6,6.54,;-7.34,5.78,;-2,5.78,;-2,4.23,;-.67,3.47,;.67,4.23,;2,3.47,;2,1.93,;3.33,1.15,;3.33,-.38,;4.67,-1.15,;6,-.38,;6,1.15,;4.67,1.93,;7.34,-1.15,;7.34,-2.69,;8.67,-3.47,;6,-3.47,;6,-5,;4.67,-5.78,;3.33,-5,;3.33,-3.47,;4.67,-2.69,;2,-5.77,;.67,-5,;-.67,-5.77,;-.67,-7.31,;.67,-8.08,;2,-7.31,;.67,5.78,;-.67,6.55,)|
Structure:
Search PDB for entries with ligand similarity: