Reaction Details Report a problem with these data
Target
Matrix protein 2
Ligand
BDBM50266583
Substrate
n/a
Meas. Tech.
ChEMBL_1701013 (CHEMBL4051995)
IC50
45300±n/a nM
Citation
 Barniol-Xicota, M; Gazzarrini, S; Torres, E; Hu, Y; Wang, J; Naesens, L; Moroni, A; Vázquez, S Slow but Steady Wins the Race: Dissimilarities among New Dual Inhibitors of the Wild-Type and the V27A Mutant M2 Channels of Influenza A Virus. J Med Chem 60:3727-3738 (2017) [PubMed]  Article 
Target
Name:
Matrix protein 2
Synonyms:
M | M2_I72A8 | Proton channel protein M2
Type:
PROTEIN
Mol. Mass.:
11180.06
Organism:
Influenza A virus (A/Udorn/307/1972(H3N2))
Description:
ChEMBL_22
Residue:
97
Sequence:
MSLLTEVETPIRNEWGCRCNDSSDPLVVAASIIGILHLILWILDRLFFKCIYRFFEHGLKRGPSTEGVPESMREEYRKEQQSAVDADDSHFVSIELE
  
Inhibitor
Name:
BDBM50266583
Synonyms:
CHEMBL4094873
Type:
Small organic molecule
Emp. Form.:
C15H25N
Mol. Mass.:
219.3657
SMILES:
C1CC(CCN1)C1C2CC3CC(C2)CC1C3 |TLB:12:11:15:8.7.6,12:7:10.11.13:15,THB:2:6:10.11.13:15,6:7:10:13.14.15,6:14:10:8.12.7,(15.17,-15.21,;13.89,-16.06,;12.51,-15.36,;12.4,-13.83,;13.7,-12.98,;15.08,-13.67,;11.22,-16.22,;11.21,-17.75,;9.81,-18.1,;8.47,-17.61,;7.27,-18.89,;8.78,-18.47,;10.19,-19.03,;8.77,-16.87,;9.82,-15.64,;8.47,-16.12,)|
Structure:
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