Target
Serotonin 2 (5-HT2) receptor
Ligand
BDBM50231649
Substrate
n/a
Meas. Tech.
ChEMBL_2187 (CHEMBL617013)
Ki
5129±n/a nM
Citation
 Agarwal, APearson, PPTaylor, EWLi, HBDahlgren, THerslöf, MYang, YLambert, GNelson, DLRegan, JW Three-dimensional quantitative structure-activity relationships of 5-HT receptor binding data for tetrahydropyridinylindole derivatives: a comparison of the Hansch and CoMFA methods. J Med Chem 36:4006-14 (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:
BDBM50231649
Synonyms:
CHEMBL281432
Type:
Small organic molecule
Emp. Form.:
C17H21N3O
Mol. Mass.:
283.3681
SMILES:
CCCN1CCC(=CC1)c1c[nH]c2ccc(cc12)C(N)=O |c:6|
Structure:
Search PDB for entries with ligand similarity: