Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 3A/3B/3C/3D/3E
Ligand
BDBM50173944
Substrate
n/a
Meas. Tech.
ChEMBL_320909 (CHEMBL881236)
Ki
73±n/a nM
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 Lett 15:4727-30 (2005) [PubMed]  Article 
Target
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:
MLLWVQQALLALLLPTLLAQGEARRSRNTTRPALLRLSDYLLTNYRKGVRPVRDWRKPTTVSIDVIVYAILNVDEKNQVLTTYIWYRQYWTDEFLQWNPEDFDNITKLSIPTDSIWVPDILINEFVDVGKSPNIPYVYIRHQGEVQNYKPLQVVTACSLDIYNFPFDVQNCSLTFTSWLHTIQDINISLWRLPEKVKSDRSVFMNQGEWELLGVLPYFREFSMESSNYYAEMKFYVVIRRRPLFYVVSLLLPSIFLMVMDIVGFYLPPNSGERVSFKITLLLGYSVFLIIVSDTLPATAIGTPLIGVYFVVCMALLVISLAETIFIVRLVHKQDLQQPVPAWLRHLVLERIAWLLCLREQSTSQRPPATSQATKTDDCSAMGNHCSHMGGPQDFEKSPRDRCSPPPPPREASLAVCGLLQELSSIRQFLEKRDEIREVARDWLRVGSVLDKLLFHIYLLAVLAYSITLVMLWSIWQYA
  
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:
MLSSVMAPLWACILVAAGILATDTHHPQDSALYHLSKQLLQKYHKEVRPVYNWTKATTVYLDLFVHAILDVDAENQILKTSVWYQEVWNDEFLSWNSSMFDEIREISLPLSAIWAPDIIINEFVDIERYPDLPYVYVNSSGTIENYKPIQVVSACSLETYAFPFDVQNCSLTFKSILHTVEDVDLAFLRSPEDIQHDKKAFLNDSEWELLSVSSTYSILQSSAGGFAQIQFNVVMRRHPLVYVVSLLIPSIFLMLVDLGSFYLPPNCRARIVFKTSVLVGYTVFRVNMSNQVPRSVGSTPLIGHFFTICMAFLVLSLAKSIVLVKFLHDEQRGGQEQPFLCLRGDTDADRPRVEPRAQRAVVTESSLYGEHLAQPGTLKEVWSQLQSISNYLQTQDQTDQQEAEWLVLLSRFDRLLFQSYLFMLGIYTITLCSLWALWGGV
  
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:
MEGGWPARQSALLCLTVSLLLQGRGDAFTINCSGFDQHGVDPAVFQAVFDRKAFRPFTNYSIPTRVNISFTLSAILGVDAQLQLLTSFLWMDLVWDNPFINWNPKECVGINKLTVLAENLWLPDIFIVESMDVDQTPSGLTAYISSEGRIKYDKPMRVTSICNLDIFYFPFDQQNCTFTFSSFLYTVDSMLLGMDKEVWEITDTSRKVIQTQGEWELLGINKATPKMSMGNNLYDQIMFYVAIRRRPSLYIINLLVPSSFLVAIDALSFYLPAESENRAPFKITLLLGYNVFLLMMNDLLPASGTPLISVYFALCLSLMVVSLLETVFITYLLHVATTQPPPMPRWLHSLLLHCTSPGRCCPTAPQKGNKGLGLTLTHLPGPKEPGELAGKKLGPRETEPDGGSGWTKTQLMELWVQFSHAMDTLLFRLYLLFMASSILTVIVLWNT
  
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:
MQKHSPGPPALALLSQSLLTTGNGDTLIINCPGFGQHRVDPAAFQAVFDRKAIGPVTNYSVATHVNISFTLSAIWNCYSRIHTFNCHHARPWHNQFVQWNPDECGGIKKSGMATENLWLSDVFIEESVDQTPAGLMASMSIVKATSNTISQCGWSASANWTPSISPSMDRARAWRRMSRSFQIHHRTSFRTRREWVLLGIQKRTIKVTVATNQYEQAIFHVAIRRRCRPSPYVVNFLVPSGILIAIDALSFYLPLESGNCAPFKMTVLLGYSVFLLMMNDLLPATSTSSHASLVAPLALMQTPLPAGVYFALCLSLMVGSLLETIFITHLLHVATTQPLPLPRWLHSLLLHCTGQGRCCPTAPQKGNKGPGLTPTHLPGVKEPEVSAGQMPGPGEAELTGGSEWTRAQREHEAQKQHSVELWVQFSHAMDALLFRLYLLFMASSIITVICLWNT
  
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:
MEGSWFHRKRFSFYLLLGFLLQGRGVTFTINCSGFGQHGADPTALNSVFNRKPFRPVTNISVPTQVNISFAMSAILDVNEQLHLLSSFLWLEMVWDNPFISWNPEECEGITKMSMAAKNLWLPDIFIIELMDVDKTPKGLTAYVSNEGRIRYKKPMKVDSICNLDIFYFPFDQQNCTLTFSSFLYTVDSMLLDMEKEVWEITDASRNILQTHGEWELLGLSKATAKLSRGGNLYDQIVFYVAIRRRPSLYVINLLVPSGFLVAIDALSFYLPVKSGNRVPFKITLLLGYNVFLLMMSDLLPTSGTPLIGVYFALCLSLMVGSLLETIFITHLLHVATTQPPPLPRWLHSLLLHCNSPGRCCPTAPQKENKGPGLTPTHLPGVKEPEVSAGQMPGPAEAELTGGSEWTRAQREHEAQKQHSVELWLQFSHAMDAMLFRLYLLFMASSIITVICLWNT
  
Inhibitor
Name:
BDBM50173944
Synonyms:
5'-phenyl-(2'R)-spiro[4-azabicyclo[2.2.2]octane-2,2'-furo[2,3-b]pyridine] | CHEMBL195345
Type:
Small organic molecule
Emp. Form.:
C19H20N2O
Mol. Mass.:
292.3749
SMILES:
C1c2cc(cnc2O[C@]11CN2CCC1CC2)-c1ccccc1 |wD:8.8,TLB:7:8:14.15:12.11,THB:0:8:14.15:12.11,(2.37,-1.18,;2.91,-2.63,;4.33,-3.19,;4.54,-4.71,;3.34,-5.67,;1.92,-5.1,;1.69,-3.58,;.41,-2.72,;.83,-1.24,;.55,.16,;-.81,.77,;-2.28,.12,;-2.08,-1.26,;-.54,-.59,;-.28,1.3,;-.74,2.41,;5.99,-5.27,;7.18,-4.31,;8.61,-4.87,;8.85,-6.41,;7.63,-7.37,;6.2,-6.8,)|
Structure:
Search PDB for entries with ligand similarity: