Reaction Details |
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Target | Serotonin 2 (5-HT2) receptor |
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Ligand | BDBM50015718 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2187 (CHEMBL617013) |
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Ki | 164±n/a nM |
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Citation | Agarwal, A; Pearson, PP; Taylor, EW; Li, HB; Dahlgren, T; Herslöf, M; Yang, Y; Lambert, G; Nelson, DL; Regan, 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 Chem36:4006-14 (1993) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Serotonin 2 (5-HT2) receptor |
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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: | MASSYKMSEQSTISEHILQKTCDHLILTDRSGLKAESAAEEMKQTAENQGNTVHWAALLI
FAVIIPTIGGNILVILAVSLEKRLQYATNYFLMSLAVADLLVGLFVMPIALLTIMFEATW
PLPLALCPAWLFLDVLFSTASIMHLCAISLDRYIAIKKPIQANQCNSRTTAFVKITVVWL
ISIGIAIPVPIKGIEADVVNAHNITCELTKDRFGSFMLFGSLAAFFAPLTIMIVTYFLTI
HALRKKAYLVRNRPPQRLTRWTVSTVLQREDSSFSSPEKMVMLDGSHKDKILPNSTDETL
MRRMSSAGKKPAQTISNEQRASKVLGIVFLFFLLMWCPFFITNVTLALCDSCNQTTLKTL
LQIFVWVGYVSSGVNPLIYTLFNKTFREAFGRYITCNYQATKSVKVLRKCSSTLYFGNSM
VENSKFFTKHGIRNGINPAMYQSPVRLRSSTIQSSSIILLNTFLTENDGDKVEDQVSYI
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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: | MVNLGNAVRSLLMHLIGLLVWQFDISISPVAAIVTDTFNSSDGGRLFQFPDGVQNWPALS
IVVIIIMTIGGNILVIMAVSMEKKLHNATNYFLMSLAIADMLVGLLVMPLSLLAILYDYV
WPLPRYLCPVWISLDVLFSTASIMHLCAISLDRYVAIRNPIEHSRFNSRTKAIMKIAIVW
AISIGVSVPIPVIGLRDESKVFVNNTTCVLNDPNFVLIGSFVAFFIPLTIMVITYFLTIY
VLRRQTLMLLRGHTEEELANMSLNFLNCCCKKNGGEEENAPNPNPDQKPRRKKKEKRPRG
TMQAINNEKKASKVLGIVFFVFLIMWCPFFITNILSVLCGKACNQKLMEKLLNVFVWIGY
VCSGINPLVYTLFNKIYRRAFSKYLRCDYKPDKKPPVRQIPRVAATALSGRELNVNIYRH
TNERVARKANDPEPGIEMQVENLELPVNPSNVVSERISSV
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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: | MEILCEDNISLSSIPNSLMQLGDGPRLYHNDFNSRDANTSEASNWTIDAENRTNLSCEGY
LPPTCLSILHLQEKNWSALLTTVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIAD
MLLGFLVMPVSMLTILYGYRWPLPSKLCAIWIYLDVLFSTASIMHLCAISLDRYVAIQNP
IHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSF
VAFFIPLTIMVITYFLTIKSLQKEATLCVSDLSTRAKLASFSFLPQSSLSSEKLFQRSIH
REPGSYAGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNENVIGA
LLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENRKPLQLILVNTIPALAYK
SSQLQVGQKKNSQEDAEQTVDDCSMVTLGKQQSEENCTDNIETVNEKVSCV
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BDBM50015718 |
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n/a |
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Name | BDBM50015718 |
Synonyms: | 5-Nitro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole | CHEMBL283257 |
Type | Small organic molecule |
Emp. Form. | C13H13N3O2 |
Mol. Mass. | 243.2612 |
SMILES | [O-][N+](=O)c1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:10| |
Structure |
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