Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 2A
Ligand
BDBM50207116
Substrate
n/a
Meas. Tech.
5-HT2A Receptor Binding Test
pH
7.7±n/a
Ki
0.640±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:
BDBM50207116
Synonyms:
CHEMBL3905247 | US9550741, I-4
Type:
Small organic molecule
Emp. Form.:
C28H33N5OS
Mol. Mass.:
487.66
SMILES:
O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc2ccccc2[nH]1 |r,wU:6.6,wD:3.2,(25.87,-26.54,;26.59,-25.21,;25.82,-23.88,;24.29,-23.88,;23.52,-22.54,;21.97,-22.54,;21.2,-23.88,;19.67,-23.88,;18.9,-22.54,;17.36,-22.54,;16.59,-23.88,;15.06,-23.88,;14.29,-22.54,;15.06,-21.21,;16.59,-21.21,;12.75,-22.54,;11.83,-23.78,;10.4,-23.31,;10.4,-21.77,;9.27,-20.75,;9.58,-19.21,;11.07,-18.75,;12.13,-19.78,;11.83,-21.26,;21.97,-25.21,;23.52,-25.21,;28.13,-25.11,;28.95,-23.83,;30.43,-24.24,;31.72,-23.36,;33.1,-24.08,;33.15,-25.62,;31.87,-26.44,;30.48,-25.77,;29.05,-26.29,)|
Structure:
Search PDB for entries with ligand similarity: