Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 2A
Ligand
BDBM180708
Substrate
n/a
Meas. Tech.
Radioligand Binding Assay
Ki
3.654±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:
BDBM180708
Synonyms:
US8829029, 8
Type:
Small organic molecule
Emp. Form.:
C28H34FN3O3
Mol. Mass.:
479.5863
SMILES:
COc1ccc(cc1)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2noc3cc(F)ccc23)CC1 |r,wU:11.11,wD:14.15,(6.3,-.65,;7.38,.44,;6.99,1.93,;5.5,2.32,;5.1,3.81,;6.19,4.9,;7.68,4.5,;8.07,3.01,;5.79,6.39,;6.88,7.48,;4.3,6.79,;3.21,5.7,;3.61,4.21,;2.52,3.12,;1.04,3.52,;-.05,2.43,;-1.54,2.83,;-2.63,1.74,;-2.23,.25,;-3.32,-.84,;-4.81,-.44,;-5.21,1.05,;-4.12,2.14,;-5.9,-1.53,;-7.38,-1.13,;-8.07,-3.7,;-6.59,-4.1,;-6.19,-5.59,;-4.7,-5.99,;-4.3,-7.48,;-3.61,-4.9,;-4.01,-3.41,;-5.5,-3.01,;.64,5.01,;1.73,6.1,)|
Structure:
Search PDB for entries with ligand similarity: