| Reaction Details |
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 | Report a problem with these data |
| Target | 5-hydroxytryptamine receptor 3A/3B |
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| Ligand | BDBM50070564 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_3167 (CHEMBL617812) |
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| IC50 | 2.05±n/a nM |
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| Citation |  Hirokawa, Y; Fujiwara, I; Suzuki, K; Harada, H; Yoshikawa, T; Yoshida, N; Kato, S Synthesis and structure-affinity relationships of novel N-(1-ethyl-4-methylhexahydro-1,4-diazepin-6-yl)pyridine-3-carboxamides with potent serotonin 5-HT3 and dopamine D2 receptor antagonistic activity. J Med Chem46:702-15 (2003) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| 5-hydroxytryptamine receptor 3A/3B |
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| Name: | 5-hydroxytryptamine receptor 3A/3B |
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| Synonyms: | Serotonin 3 (5-HT3) receptor | Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of EBI is 2974 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | 5-hydroxytryptamine receptor 3B |
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| Synonyms: | 5HT3B_RAT | Htr3b | Serotonin (5-HT) receptor |
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| Type: | PROTEIN |
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| Mol. Mass.: | 50328.78 |
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| Organism: | Rattus norvegicus |
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| Description: | EBI_11885 |
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| Residue: | 437 |
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| Sequence: | MILLWSCLLVAVVGILGTATPQPGNSSLHRLTRQLLQQYHKEVRPVYNWAEATTVYLDLC
VHAVLDVDVQNQKLKTSMWYREVWNDEFLSWNSSLFDDIQEISLPLSAIWAPDIIINEFV
DVERSPDLPYVYVNSSGTIRNHKPIQVVSACSLQTYAFPFDIQNCSLTFNSILHTVEDID
LGFLRNQEDIENDKRSFLNDSEWQLLSVTSTYHIRQSSAGDFAQIRFNVVIRRCPLAYVV
SLLIPSIFLMLVDLGSFYLPPNCRARIVFKTNVLVGYTVFRVNMSDEVPRSAGCTSLIGV
FFTVCMALLVLSLSKSILLIKFLYEERHSEQERPLMCLRGDSDANESRLYLRAPCAEDTE
SPVRQEHQVPSDTLKDFWFQLQSINNSLRTRDQVYQKEVEWLAILCHFDQLLFRIYLAVL
GLYTVTLCSLWALWSRM
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| Component 2 |
| Name: | 5-hydroxytryptamine receptor 3A |
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| Synonyms: | 5-HT3 | 5-hydroxytryptamine receptor 3A | 5HT3A_RAT | 5ht3 | Htr3 | Htr3a | Serotonin (5-HT) receptor | Zacopride site-R |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 55428.70 |
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| Organism: | RAT |
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| Description: | 5-HT3 HTR3A RAT::P35563 |
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| Residue: | 483 |
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| Sequence: | MPLCIPQVLLALFLSVLIAQGEGSRRRATQAHSTTQPALLRLSDHLLANYKKGVRPVRDW
RKPTLVSIDVIMYAILNVDEKNQVLTTYIWYRQFWTDEFLQWTPEDFDNVTKLSIPTDSI
WVPDILINEFVDVGKSPSIPYVYVHHQGEVQNYKPLQLVTACSLDIYNFPFDVQNCSLTF
TSWLHTIQDINISLWRTPEEVRSDKSIFINQGEWELLGVFTKFQEFSIETSNSYAEMKFY
VVIRRRPLFYAVSLLLPSIFLMVVDIVGFCLPPDSGERVSFKITLLLGYSVFLIIVSDTL
PATAIGTPLIGVYFVVCMALLVISLAETIFIVQLVHKQDLQRPVPDWLRHLVLDRIAWLL
CLGEQPMAHRPPATFQANKTDDCSAMGNHCSHVGSPQDLEKTSRSRDSPLPPPREASLAV
RGLLQELSSIRHSLEKRDEMREVARDWLRVGYVLDRLLFRIYLLAVLAYSITLVTLWSIW
HYS
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| BDBM50070564 |
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| n/a |
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| Name | BDBM50070564 |
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| Synonyms: | 5-Chloro-N-((S)-1-ethyl-4-methyl-[1,4]diazepan-6-yl)-2-methoxy-6-methylamino-nicotinamide | CHEMBL432284 |
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| Type | Small organic molecule |
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| Emp. Form. | C16H26ClN5O2 |
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| Mol. Mass. | 355.863 |
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| SMILES | CCN1CCN(C)C[C@@H](C1)NC(=O)c1cc(Cl)c(NC)nc1OC |
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| Structure | 
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