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Target
Serotonin 2 (5-HT2) receptor
Ligand
BDBM50122411
Substrate
n/a
Meas. Tech.
ChEMBL_1936 (CHEMBL617244)
IC50
28000±n/a nM
Citation
 Mattson, RJ; Catt, JD; Sloan, CP; Gao, Q; Carter, RB; Gentile, A; Mahle, CD; Matos, FF; McGovern, R; VanderMaelen, CP; Yocca, FD Development of a presynaptic 5-HT1A antagonist. Bioorg Med Chem Lett 13:285-8 (2002) [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:
BDBM50122411
Synonyms:
1-Benzo[1,3]dioxol-5-yl-4-[4-(3-methoxy-benzyl)-piperazin-1-yl]-cyclohexanol | CHEMBL100086
Type:
Small organic molecule
Emp. Form.:
C25H32N2O4
Mol. Mass.:
424.5326
SMILES:
COc1cccc(CN2CCN(CC2)C2CCC(O)(CC2)c2ccc3OCOc3c2)c1 |(19.14,-2.99,;18.39,-4.34,;16.85,-4.34,;16.08,-5.68,;14.54,-5.68,;13.77,-4.35,;14.54,-3.02,;13.77,-1.69,;12.23,-1.69,;11.46,-3.02,;9.92,-3.02,;9.15,-1.69,;9.92,-.36,;11.46,-.36,;7.61,-1.69,;6.63,-.89,;4.79,-.89,;4.53,.65,;4.93,2.14,;5.58,-.17,;7.35,-.15,;2.99,.65,;2.22,-.66,;.68,-.66,;-.07,.69,;-1.58,1.02,;-1.73,2.54,;-.32,3.17,;.71,2.01,;2.24,2,;16.08,-3.02,)|
Structure:
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