Reaction Details |
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Target | 5-hydroxytryptamine receptor 3A/3B/3C/3D/3E |
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Ligand | BDBM50173952 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_320909 (CHEMBL881236) |
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Ki | 49.8±n/a nM |
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Citation | Baker, SR; Boot, J; Brunavs, M; Dobson, D; Green, R; Hayhurst, L; Keenan, M; Wallace, L High affinity ligands for the alpha7 nicotinic receptor that show no cross-reactivity with the 5-HT3 receptor. Bioorg Med Chem Lett15:4727-30 (2005) [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/3C/3D/3E |
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Name: | 5-hydroxytryptamine receptor 3A/3B/3C/3D/3E |
Synonyms: | Serotonin 3 (5-HT3) receptor | Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of EBI is 3422 |
Components: | This complex has 5 components. |
Component 1 |
Name: | 5-hydroxytryptamine receptor 3A |
Synonyms: | 5-HT-3 | 5-HT3 | 5-HT3A | 5-HT3R | 5-hydroxytryptamine receptor 3 (5-HT3) | 5-hydroxytryptamine receptor 3A (5-HT3a) | 5-hydroxytryptamine receptor 3A (5HT3A) | 5HT3A_HUMAN | 5HT3R | HTR3 | HTR3A | Serotonin 3 (5-HT3) receptor | Serotonin 3 receptor (5HT3) | Serotonin receptor 3A | Serotonin-gated ion channel receptor | Serotonin-gated ion channel receptor 3 |
Type: | Protein |
Mol. Mass.: | 55283.27 |
Organism: | Homo sapiens (Human) |
Description: | P46098 |
Residue: | 478 |
Sequence: | MLLWVQQALLALLLPTLLAQGEARRSRNTTRPALLRLSDYLLTNYRKGVRPVRDWRKPTT
VSIDVIVYAILNVDEKNQVLTTYIWYRQYWTDEFLQWNPEDFDNITKLSIPTDSIWVPDI
LINEFVDVGKSPNIPYVYIRHQGEVQNYKPLQVVTACSLDIYNFPFDVQNCSLTFTSWLH
TIQDINISLWRLPEKVKSDRSVFMNQGEWELLGVLPYFREFSMESSNYYAEMKFYVVIRR
RPLFYVVSLLLPSIFLMVMDIVGFYLPPNSGERVSFKITLLLGYSVFLIIVSDTLPATAI
GTPLIGVYFVVCMALLVISLAETIFIVRLVHKQDLQQPVPAWLRHLVLERIAWLLCLREQ
STSQRPPATSQATKTDDCSAMGNHCSHMGGPQDFEKSPRDRCSPPPPPREASLAVCGLLQ
ELSSIRQFLEKRDEIREVARDWLRVGSVLDKLLFHIYLLAVLAYSITLVMLWSIWQYA
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Component 2 |
Name: | 5-hydroxytryptamine receptor 3B |
Synonyms: | 5-HT-3B | 5-HT3B | 5-hydroxytryptamine receptor 3B | 5HT3B_HUMAN | HTR3B | Serotonin 3 receptor (5HT3) | Serotonin receptor 3B |
Type: | PROTEIN |
Mol. Mass.: | 50281.60 |
Organism: | Homo sapiens (Human) |
Description: | EBI_11305 |
Residue: | 441 |
Sequence: | MLSSVMAPLWACILVAAGILATDTHHPQDSALYHLSKQLLQKYHKEVRPVYNWTKATTVY
LDLFVHAILDVDAENQILKTSVWYQEVWNDEFLSWNSSMFDEIREISLPLSAIWAPDIII
NEFVDIERYPDLPYVYVNSSGTIENYKPIQVVSACSLETYAFPFDVQNCSLTFKSILHTV
EDVDLAFLRSPEDIQHDKKAFLNDSEWELLSVSSTYSILQSSAGGFAQIQFNVVMRRHPL
VYVVSLLIPSIFLMLVDLGSFYLPPNCRARIVFKTSVLVGYTVFRVNMSNQVPRSVGSTP
LIGHFFTICMAFLVLSLAKSIVLVKFLHDEQRGGQEQPFLCLRGDTDADRPRVEPRAQRA
VVTESSLYGEHLAQPGTLKEVWSQLQSISNYLQTQDQTDQQEAEWLVLLSRFDRLLFQSY
LFMLGIYTITLCSLWALWGGV
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Component 3 |
Name: | 5-hydroxytryptamine receptor 3C |
Synonyms: | 5HT3C_HUMAN | HTR3C | Serotonin (5-HT3) receptor |
Type: | PROTEIN |
Mol. Mass.: | 50216.00 |
Organism: | Homo sapiens (Human) |
Description: | EBI_12117 |
Residue: | 447 |
Sequence: | MEGGWPARQSALLCLTVSLLLQGRGDAFTINCSGFDQHGVDPAVFQAVFDRKAFRPFTNY
SIPTRVNISFTLSAILGVDAQLQLLTSFLWMDLVWDNPFINWNPKECVGINKLTVLAENL
WLPDIFIVESMDVDQTPSGLTAYISSEGRIKYDKPMRVTSICNLDIFYFPFDQQNCTFTF
SSFLYTVDSMLLGMDKEVWEITDTSRKVIQTQGEWELLGINKATPKMSMGNNLYDQIMFY
VAIRRRPSLYIINLLVPSSFLVAIDALSFYLPAESENRAPFKITLLLGYNVFLLMMNDLL
PASGTPLISVYFALCLSLMVVSLLETVFITYLLHVATTQPPPMPRWLHSLLLHCTSPGRC
CPTAPQKGNKGLGLTLTHLPGPKEPGELAGKKLGPRETEPDGGSGWTKTQLMELWVQFSH
AMDTLLFRLYLLFMASSILTVIVLWNT
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Component 4 |
Name: | 5-hydroxytryptamine receptor 3D |
Synonyms: | 5HT3D_HUMAN | HTR3D | Serotonin (5-HT3) receptor |
Type: | PROTEIN |
Mol. Mass.: | 50209.16 |
Organism: | Homo sapiens (Human) |
Description: | EBI_12960 |
Residue: | 454 |
Sequence: | MQKHSPGPPALALLSQSLLTTGNGDTLIINCPGFGQHRVDPAAFQAVFDRKAIGPVTNYS
VATHVNISFTLSAIWNCYSRIHTFNCHHARPWHNQFVQWNPDECGGIKKSGMATENLWLS
DVFIEESVDQTPAGLMASMSIVKATSNTISQCGWSASANWTPSISPSMDRARAWRRMSRS
FQIHHRTSFRTRREWVLLGIQKRTIKVTVATNQYEQAIFHVAIRRRCRPSPYVVNFLVPS
GILIAIDALSFYLPLESGNCAPFKMTVLLGYSVFLLMMNDLLPATSTSSHASLVAPLALM
QTPLPAGVYFALCLSLMVGSLLETIFITHLLHVATTQPLPLPRWLHSLLLHCTGQGRCCP
TAPQKGNKGPGLTPTHLPGVKEPEVSAGQMPGPGEAELTGGSEWTRAQREHEAQKQHSVE
LWVQFSHAMDALLFRLYLLFMASSIITVICLWNT
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Component 5 |
Name: | 5-hydroxytryptamine receptor 3E |
Synonyms: | 5HT3E_HUMAN | HTR3E | Serotonin (5-HT3) receptor |
Type: | PROTEIN |
Mol. Mass.: | 51440.34 |
Organism: | Homo sapiens (Human) |
Description: | EBI_14002 |
Residue: | 456 |
Sequence: | MEGSWFHRKRFSFYLLLGFLLQGRGVTFTINCSGFGQHGADPTALNSVFNRKPFRPVTNI
SVPTQVNISFAMSAILDVNEQLHLLSSFLWLEMVWDNPFISWNPEECEGITKMSMAAKNL
WLPDIFIIELMDVDKTPKGLTAYVSNEGRIRYKKPMKVDSICNLDIFYFPFDQQNCTLTF
SSFLYTVDSMLLDMEKEVWEITDASRNILQTHGEWELLGLSKATAKLSRGGNLYDQIVFY
VAIRRRPSLYVINLLVPSGFLVAIDALSFYLPVKSGNRVPFKITLLLGYNVFLLMMSDLL
PTSGTPLIGVYFALCLSLMVGSLLETIFITHLLHVATTQPPPLPRWLHSLLLHCNSPGRC
CPTAPQKENKGPGLTPTHLPGVKEPEVSAGQMPGPAEAELTGGSEWTRAQREHEAQKQHS
VELWLQFSHAMDAMLFRLYLLFMASSIITVICLWNT
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BDBM50173952 |
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n/a |
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Name | BDBM50173952 |
Synonyms: | Benzo[b]thiophene-2-carboxylic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide | CHEMBL365323 |
Type | Small organic molecule |
Emp. Form. | C16H18N2OS |
Mol. Mass. | 286.392 |
SMILES | O=C(NC1CN2CCC1CC2)c1cc2ccccc2s1 |THB:2:3:9.10:7.6,(2.61,.02,;2.05,-1.43,;.52,-1.65,;-.44,-.43,;-.73,.98,;-2.08,1.59,;-2.02,3.23,;-1.56,2.11,;-1.82,.21,;-3.37,-.45,;-3.58,.93,;3.01,-2.63,;2.59,-4.13,;3.87,-4.99,;4.09,-6.52,;5.52,-7.09,;6.74,-6.13,;6.52,-4.6,;5.09,-4.03,;4.55,-2.58,)| |
Structure |
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