Reaction Details |
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Target | 5-hydroxytryptamine receptor 3A/3B/3C/3D/3E |
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Ligand | BDBM50190783 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_369000 (CHEMBL870923) |
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Ki | 962±n/a nM |
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Citation | Wishka, DG; Walker, DP; Yates, KM; Reitz, SC; Jia, S; Myers, JK; Olson, KL; Jacobsen, EJ; Wolfe, ML; Groppi, VE; Hanchar, AJ; Thornburgh, BA; Cortes-Burgos, LA; Wong, EH; Staton, BA; Raub, TJ; Higdon, NR; Wall, TM; Hurst, RS; Walters, RR; Hoffmann, WE; Hajos, M; Franklin, S; Carey, G; Gold, LH; Cook, KK; Sands, SB; Zhao, SX; Soglia, JR; Kalgutkar, AS; Arneric, SP; Rogers, BN Discovery of N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]furo[2,3-c]pyridine-5-carboxamide, an agonist of the alpha7 nicotinic acetylcholine receptor, for the potential treatment of cognitive deficits in schizophrenia: synthesis and structure--activity relationship. J Med Chem49:4425-36 (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/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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BDBM50190783 |
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n/a |
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Name | BDBM50190783 |
Synonyms: | CHEMBL379302 | N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]-1-benzofuran-6-carboxamide |
Type | Small organic molecule |
Emp. Form. | C16H18N2O2 |
Mol. Mass. | 270.3263 |
SMILES | O=C(N[C@H]1CN2CCC1CC2)c1ccc2ccoc2c1 |wU:3.2,(27.6,-12.86,;27.61,-14.4,;28.95,-15.16,;30.28,-14.39,;30.27,-12.85,;31.61,-12.08,;32.95,-12.85,;32.94,-14.39,;31.62,-15.16,;30.74,-14.01,;31.56,-13.22,;26.28,-15.18,;26.29,-16.73,;24.94,-17.5,;23.61,-16.73,;22.15,-17.2,;21.24,-15.96,;22.15,-14.71,;23.61,-15.19,;24.94,-14.41,)| |
Structure |
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