Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 2A
Ligand
BDBM50034043
Substrate
n/a
Meas. Tech.
ChEMBL_2231 (CHEMBL617176)
IC50
9±n/a nM
Citation
 Strupczewski, JT; Bordeau, KJ; Chiang, Y; Glamkowski, EJ; Conway, PG; Corbett, R; Hartman, HB; Szewczak, MR; Wilmot, CA; Helsley, GC 3-[[(Aryloxy)alkyl]piperidinyl]-1,2-benzisoxazoles as D2/5-HT2 antagonists with potential atypical antipsychotic activity: antipsychotic profile of iloperidone (HP 873). J Med Chem 38:1119-31 (1995) [PubMed]  Article 
Target
Name:
5-hydroxytryptamine receptor 2A
Synonyms:
5-HT2A | 5HT2A_BOVIN | 5HTR2A | HTR2A | Serotonin 2a (5-HT2a) receptor
Type:
Enzyme Catalytic Domain
Mol. Mass.:
52578.24
Organism:
BOVINE
Description:
5-HT2A HTR2A BOVINE::Q75Z89
Residue:
470
Sequence:
MDILCEENTSLSSTTNSLMQLHADTRLYSTDFNSGEGNTSNAFNWTVDSENRTNLSCEGCLSPPCFSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSTLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADENFVLIGSFVAFFIPLTIMVITYFLTIKSLQKEATLCVSDPGTRTKLASFSFLPQSSLSSEKLFQRSIHREPGSYGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNRDVIEALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENKKPLQLILVNTIPALAYKSSQLQMGPKKNSKKDDKTTDNDCTMVALGKEHPEDAPADSSNTVNEKVSCV
  
Inhibitor
Name:
BDBM50034043
Synonyms:
1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-propoxy}-3-methoxy-phenyl)-ethanone | CHEMBL14376 | ILOPERIDONE
Type:
Small organic molecule
Emp. Form.:
C24H27FN2O4
Mol. Mass.:
426.4806
SMILES:
COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
Structure:
Search PDB for entries with ligand similarity: