| Reaction Details |
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 | Report a problem with these data |
| Target | 5-hydroxytryptamine receptor 3A/3B |
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| Ligand | BDBM50187377 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_357762 (CHEMBL859019) |
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| Ki | >5000±n/a nM |
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| Citation |  Becker, OM; Dhanoa, DS; Marantz, Y; Chen, D; Shacham, S; Cheruku, S; Heifetz, A; Mohanty, P; Fichman, M; Sharadendu, A; Nudelman, R; Kauffman, M; Noiman, S An integrated in silico 3D model-driven discovery of a novel, potent, and selective amidosulfonamide 5-HT1A agonist (PRX-00023) for the treatment of anxiety and depression. J Med Chem49:3116-35 (2006) [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 receptor (5HT3) |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of ChEMBL is 357762 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | 5-hydroxytryptamine receptor 3A |
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| Synonyms: | 5-HT-3 | 5-HT3-A | 5-HT3A | 5-HT3A Serotonin Receptor | 5-HT3R | 5-hydroxytryptamine receptor 3 | 5-hydroxytryptamine receptor 3A | 5HT3A_MOUSE | 5ht3 | Htr3 | Htr3a | Serotonin 3 receptor (5HT3) | Serotonin 3a (5-HT3a) receptor | Serotonin receptor 3A | Serotonin-gated ion channel receptor |
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| Type: | n/a |
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| Mol. Mass.: | 56056.00 |
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| Organism: | Mus musculus (house mouse) |
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| Description: | 5HT3A |
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| Residue: | 487 |
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| Sequence: | MRLCIPQVLLALFLSMLTAPGEGSRRRATQEDTTQPALLRLSDHLLANYKKGVRPVRDWR
KPTTVSIDVIMYAILNVDEKNQVLTTYIWYRQYWTDEFLQWTPEDFDNVTKLSIPTDSIW
VPDILINEFVDVGKSPNIPYVYVHHRGEVQNYKPLQLVTACSLDIYNFPFDVQNCSLTFT
SWLHTIQDINITLWRSPEEVRSDKSIFINQGEWELLEVFPQFKEFSIDISNSYAEMKFYV
IIRRRPLFYAVSLLLPSIFLMVVDIVGFCLPPDSGERVSFKITLLLGYSVFLIIVSDTLP
ATIGTPLIGVYFVVCMALLVISLAETIFIVRLVHKQDLQRPVPDWLRHLVLDRIAWILCL
GEQPMAHRPPATFQANKTDDCSGSDLLPAMGNHCSHVGGPQDLEKTPRGRGSPLPPPREA
SLAVRGLLQELSSIRHFLEKRDEMREVARDWLRVGYVLDRLLFRIYLLAVLAYSITLVTL
WSIWHYS
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| Component 2 |
| Name: | 5-hydroxytryptamine receptor 3B |
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| Synonyms: | 5HT3B_MOUSE | Htr3b | Serotonin 3 receptor (5HT3) | Serotonin 3b (5-HT3b) receptor |
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| Type: | PROTEIN |
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| Mol. Mass.: | 50317.35 |
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| Organism: | Mus musculus |
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| Description: | ChEMBL_3121 |
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| Residue: | 437 |
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| Sequence: | MILLWSCLLVAVVGILGTATPQPGNSSLHRLTRQLLQQYHKEVRPVYNWAEATTVYLDLC
VHAVLDVDVQNQKLKTSVWYREVWNDEFLSWNSSLFDEIQEISLPLSALWAPDIIINEFV
DVERSPDLPYVYVNSSGTIRNHKPIQVVSACSLQTYAFPFDIQNCSLTFNSILHTVEDID
LGFLRNREDIENDKRAFMNDSEWQLLSVSSTYHIRQSSAGDFAQIRFNVVIRRCPLAYVV
SLLIPSIFLMLVDLGSFYLPPNCRARIVFKTNVLVGYTVFRVNMSDEVPRSAGCTPLIGV
FFTVCMALLVLSLSKSILLIKFLYEERHSGQERPLMCLQGDSDAEESRLYLGAPRADVTE
SPVHQEHRVPSDTLKDFWFQFRSINNSLRTRDQIHQKEVEWLAILYRFDQLLFRIYLAVL
GLYTVTLCSLWALWSRM
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| BDBM50187377 |
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| n/a |
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| Name | BDBM50187377 |
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| Synonyms: | CHEMBL209821 | N-(3-(4-(4-(cyclohexylmethylsulfonamido)butyl)piperazin-1-yl)phenyl)acetamide | N-{3-[4-(4-cyclohexylmethanesulfonylamino-butyl)-piperazin-1-yl]-phenyl}-acetamide |
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| Type | Small organic molecule |
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| Emp. Form. | C23H38N4O3S |
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| Mol. Mass. | 450.638 |
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| SMILES | CC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)CC2CCCCC2)CC1 |
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| Structure | 
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