Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 3A/3B
Ligand
BDBM50000469
Substrate
n/a
Meas. Tech.
ChEMBL_3411 (CHEMBL620725)
Ki
0.40±n/a nM
Citation
 Clark, RD; Miller, AB; Berger, J; Repke, DB; Weinhardt, KK; Kowalczyk, BA; Eglen, RM; Bonhaus, DW; Lee, CH; Michel, AD 2-(Quinuclidin-3-yl)pyrido[4,3-b]indol-1-ones and isoquinolin-1-ones. Potent conformationally restricted 5-HT3 receptor antagonists. J Med Chem 36:2645-57 (1993) [PubMed]  Article 
Target
Name:
5-hydroxytryptamine receptor 3A/3B
Synonyms:
Serotonin 3 (5-HT3) receptor | Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of EBI is 2974
Components:
This complex has 2 components.
Component 1
Name:
5-hydroxytryptamine receptor 3B
Synonyms:
5HT3B_RAT | Htr3b | Serotonin (5-HT) receptor
Type:
PROTEIN
Mol. Mass.:
50328.78
Organism:
Rattus norvegicus
Description:
EBI_11885
Residue:
437
Sequence:
MILLWSCLLVAVVGILGTATPQPGNSSLHRLTRQLLQQYHKEVRPVYNWAEATTVYLDLCVHAVLDVDVQNQKLKTSMWYREVWNDEFLSWNSSLFDDIQEISLPLSAIWAPDIIINEFVDVERSPDLPYVYVNSSGTIRNHKPIQVVSACSLQTYAFPFDIQNCSLTFNSILHTVEDIDLGFLRNQEDIENDKRSFLNDSEWQLLSVTSTYHIRQSSAGDFAQIRFNVVIRRCPLAYVVSLLIPSIFLMLVDLGSFYLPPNCRARIVFKTNVLVGYTVFRVNMSDEVPRSAGCTSLIGVFFTVCMALLVLSLSKSILLIKFLYEERHSEQERPLMCLRGDSDANESRLYLRAPCAEDTESPVRQEHQVPSDTLKDFWFQLQSINNSLRTRDQVYQKEVEWLAILCHFDQLLFRIYLAVLGLYTVTLCSLWALWSRM
  
Component 2
Name:
5-hydroxytryptamine receptor 3A
Synonyms:
5-HT3 | 5-hydroxytryptamine receptor 3A | 5HT3A_RAT | 5ht3 | Htr3 | Htr3a | Serotonin (5-HT) receptor | Zacopride site-R
Type:
Enzyme Catalytic Domain
Mol. Mass.:
55428.70
Organism:
RAT
Description:
5-HT3 HTR3A RAT::P35563
Residue:
483
Sequence:
MPLCIPQVLLALFLSVLIAQGEGSRRRATQAHSTTQPALLRLSDHLLANYKKGVRPVRDWRKPTLVSIDVIMYAILNVDEKNQVLTTYIWYRQFWTDEFLQWTPEDFDNVTKLSIPTDSIWVPDILINEFVDVGKSPSIPYVYVHHQGEVQNYKPLQLVTACSLDIYNFPFDVQNCSLTFTSWLHTIQDINISLWRTPEEVRSDKSIFINQGEWELLGVFTKFQEFSIETSNSYAEMKFYVVIRRRPLFYAVSLLLPSIFLMVVDIVGFCLPPDSGERVSFKITLLLGYSVFLIIVSDTLPATAIGTPLIGVYFVVCMALLVISLAETIFIVQLVHKQDLQRPVPDWLRHLVLDRIAWLLCLGEQPMAHRPPATFQANKTDDCSAMGNHCSHVGSPQDLEKTSRSRDSPLPPPREASLAVRGLLQELSSIRHSLEKRDEMREVARDWLRVGYVLDRLLFRIYLLAVLAYSITLVTLWSIWHYS
  
Inhibitor
Name:
BDBM50000469
Synonyms:
CHEMBL542903
Type:
Small organic molecule
Emp. Form.:
C20H25ClN2O
Mol. Mass.:
344.878
SMILES:
Cl.O=c1n(cc2CCCCc3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wD:16.17,(10.72,2.93,;3,5.97,;2.65,4.82,;3.7,3.7,;3.24,2.21,;1.74,1.87,;1.52,.37,;.18,-.4,;-.81,,;-1.5,1.28,;-.79,2.68,;-1.84,3.81,;-1.39,5.27,;.1,5.61,;1.15,4.48,;.69,3,;5.16,4.04,;5.59,5.56,;7.12,5.92,;7.21,4.43,;6.03,4.11,;6.23,2.87,;7.76,3.25,;8.21,4.78,)|
Structure:
Search PDB for entries with ligand similarity: