Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 2A
Ligand
BDBM263375
Substrate
n/a
Meas. Tech.
5-HT2A Receptor Binding Test
pH
7.7±n/a
Ki
1.28±n/a nM
Comments
extracted
Citation
 Li, J; Chen, X; Ma, Z; Zhang, L; Cui, N Benzoisothiazole compounds and methods of treating schizophrenia US Patent  US9550741 Publication Date 1/24/2017 
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:
BDBM263375
Synonyms:
US9550741, I-9
Type:
Small organic molecule
Emp. Form.:
C25H33N5OS
Mol. Mass.:
451.627
SMILES:
Cc1ccc([nH]1)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:9.9,wD:12.13,(-11.55,3.46,;-10.01,3.46,;-9.11,4.71,;-7.64,4.23,;-7.64,2.69,;-9.11,2.22,;-6.31,1.92,;-6.31,.38,;-4.98,2.69,;-3.64,1.92,;-2.31,2.7,;-.98,1.92,;-.98,.38,;.36,-.39,;1.69,.38,;3.03,-.39,;3.03,-1.93,;4.36,-2.7,;5.69,-1.93,;5.69,-.39,;4.36,.38,;7.03,-2.7,;7.03,-4.24,;8.49,-4.71,;9.4,-3.47,;10.93,-3.3,;11.55,-1.9,;10.65,-.65,;9.12,-.81,;8.49,-2.22,;-2.31,-.39,;-3.64,.38,)|
Structure:
Search PDB for entries with ligand similarity: