Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 2A
Ligand
BDBM180713
Substrate
n/a
Meas. Tech.
Radioligand Binding Assay
Ki
1.623±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:
BDBM180713
Synonyms:
US8829029, 13
Type:
Small organic molecule
Emp. Form.:
C27H33FN4O3
Mol. Mass.:
480.5743
SMILES:
COc1cc(ccn1)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2noc3cc(F)ccc23)CC1 |r,wU:11.11,wD:14.15,(9.02,1.13,;8.62,2.62,;7.13,3.01,;6.73,4.5,;5.25,4.9,;4.16,3.81,;4.56,2.32,;6.04,1.93,;4.85,6.39,;5.94,7.48,;3.36,6.79,;2.27,5.7,;2.67,4.21,;1.58,3.12,;.09,3.52,;-1,2.43,;-2.48,2.83,;-3.57,1.74,;-3.17,.25,;-4.26,-.84,;-5.75,-.44,;-6.15,1.05,;-5.06,2.14,;-6.84,-1.53,;-8.33,-1.13,;-9.02,-3.7,;-7.53,-4.1,;-7.13,-5.59,;-5.64,-5.99,;-5.25,-7.48,;-4.56,-4.9,;-4.95,-3.41,;-6.44,-3.01,;-.31,5.01,;.78,6.1,)|
Structure:
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