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Target
Serotonin 2 (5-HT2) receptor
Ligand
BDBM50002238
Substrate
n/a
Meas. Tech.
ChEBML_1935
IC50
1700±n/a nM
Citation
 Yevich, JP; New, JS; Lobeck, WG; Dextraze, P; Bernstein, E; Taylor, DP; Yocca, FD; Eison, MS; Temple, DL Synthesis and biological characterization of alpha-(4-fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazinebutanol and analogues as potential atypical antipsychotic agents. J Med Chem 35:4516-25 (1993) [PubMed]  Article 
Target
Name:
Serotonin 2 (5-HT2) receptor
Synonyms:
5-hydroxytryptamine receptor 2A/2B/2C
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 2197419
Components:
This complex has 3 components.
Component 1
Name:
5-hydroxytryptamine receptor 2B
Synonyms:
5-HT2B | 5-hydroxytryptamine receptor 2B | 5HT2B_RAT | Htr2b | Serotonin 2b (5-HT2b) receptor | Serotonin receptor 2a and 2b (5HT2A and 5HT2B) | Srl
Type:
Enzyme Catalytic Domain
Mol. Mass.:
53668.47
Organism:
RAT
Description:
5-HT2B HTR2B RAT::P30994
Residue:
479
Sequence:
MASSYKMSEQSTISEHILQKTCDHLILTDRSGLKAESAAEEMKQTAENQGNTVHWAALLIFAVIIPTIGGNILVILAVSLEKRLQYATNYFLMSLAVADLLVGLFVMPIALLTIMFEATWPLPLALCPAWLFLDVLFSTASIMHLCAISLDRYIAIKKPIQANQCNSRTTAFVKITVVWLISIGIAIPVPIKGIEADVVNAHNITCELTKDRFGSFMLFGSLAAFFAPLTIMIVTYFLTIHALRKKAYLVRNRPPQRLTRWTVSTVLQREDSSFSSPEKMVMLDGSHKDKILPNSTDETLMRRMSSAGKKPAQTISNEQRASKVLGIVFLFFLLMWCPFFITNVTLALCDSCNQTTLKTLLQIFVWVGYVSSGVNPLIYTLFNKTFREAFGRYITCNYQATKSVKVLRKCSSTLYFGNSMVENSKFFTKHGIRNGINPAMYQSPVRLRSSTIQSSSIILLNTFLTENDGDKVEDQVSYI
  
Component 2
Name:
5-hydroxytryptamine receptor 2C
Synonyms:
5-HT2C | 5-hydroxytryptamine receptor 2C | 5-hydroxytryptamine receptor 2C (5HT2c) | 5HT2C_RAT | 5ht1c | Htr1c | Htr2c | Serotonin (5-HT) receptor | Serotonin receptor 2a and 2c (5HT2A and 5HT2C)
Type:
Enzyme
Mol. Mass.:
51935.10
Organism:
Rattus norvegicus (Rat)
Description:
P08909
Residue:
460
Sequence:
MVNLGNAVRSLLMHLIGLLVWQFDISISPVAAIVTDTFNSSDGGRLFQFPDGVQNWPALSIVVIIIMTIGGNILVIMAVSMEKKLHNATNYFLMSLAIADMLVGLLVMPLSLLAILYDYVWPLPRYLCPVWISLDVLFSTASIMHLCAISLDRYVAIRNPIEHSRFNSRTKAIMKIAIVWAISIGVSVPIPVIGLRDESKVFVNNTTCVLNDPNFVLIGSFVAFFIPLTIMVITYFLTIYVLRRQTLMLLRGHTEEELANMSLNFLNCCCKKNGGEEENAPNPNPDQKPRRKKKEKRPRGTMQAINNEKKASKVLGIVFFVFLIMWCPFFITNILSVLCGKACNQKLMEKLLNVFVWIGYVCSGINPLVYTLFNKIYRRAFSKYLRCDYKPDKKPPVRQIPRVAATALSGRELNVNIYRHTNERVARKANDPEPGIEMQVENLELPVNPSNVVSERISSV
  
Component 3
Name:
5-hydroxytryptamine receptor 2A
Synonyms:
5-HT-2A | 5-HT2 | 5-HT2A | 5-hydroxytryptamine receptor 2A (5-HT2A) | 5-hydroxytryptamine receptor 2A (5HT2A) | 5HT2A_RAT | Htr2 | Htr2a | Serotonin Receptor 2A
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
52852.05
Organism:
Rattus norvegicus (rat)
Description:
Rat cortex membranes 5-HT2A receptors.
Residue:
471
Sequence:
MEILCEDNISLSSIPNSLMQLGDGPRLYHNDFNSRDANTSEASNWTIDAENRTNLSCEGYLPPTCLSILHLQEKNWSALLTTVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAIWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVAFFIPLTIMVITYFLTIKSLQKEATLCVSDLSTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYAGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNENVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENRKPLQLILVNTIPALAYKSSQLQVGQKKNSQEDAEQTVDDCSMVTLGKQQSEENCTDNIETVNEKVSCV
  
Inhibitor
Name:
BDBM50002238
Synonyms:
(R)1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butan-1-ol | (S)1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butan-1-ol | 1-(4-Fluoro-phenyl)-1-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butan-1-ol(BMY-14802) | 1-(4-Fluoro-phenyl)-4-[4-(4-fluoro-phenyl)-piperazin-1-yl]-butan-1-ol | 1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butan-1-ol | 1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butan-1-ol(BMY-14802) | 1-(4-fluorophenyl)-4-(4-(5-fluoropyrimidin-2-yl)piperazin-1-yl)butan-1-ol | 4-{4-[5-Fluoro-2-(4-fluoro-phenyl)-2H-pyrimidin-1-yl]-piperazin-1-yl}-butan-1-ol | 4-{4-[5-Fluoro-2-(4-fluoro-phenyl)-2H-pyrimidin-1-yl]-piperazin-1-yl}-butan-1-ol(BMY 14802) | BMY-14802 | CHEMBL60859
Type:
Small organic molecule
Emp. Form.:
C18H22F2N4O
Mol. Mass.:
348.3903
SMILES:
OC(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Structure:
Search PDB for entries with ligand similarity: