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Target
Matrix protein 2
Ligand
BDBM50266585
Substrate
n/a
Meas. Tech.
ChEMBL_1701013 (CHEMBL4051995)
IC50
4200±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:
BDBM50266585
Synonyms:
CHEMBL4096027
Type:
Small organic molecule
Emp. Form.:
C17H29N3
Mol. Mass.:
275.4323
SMILES:
NC(=N)N1CCC(CC2C3CC4CC(C3)CC2C4)CC1 |TLB:14:13:17:10.9.8,14:9:12.13.15:17,THB:7:8:12.13.15:17,8:9:12:15.16.17,8:16:12:10.14.9,(19.9,-16.99,;18.61,-17.82,;18.69,-19.37,;17.23,-17.12,;15.94,-17.96,;14.57,-17.26,;14.49,-15.73,;13.12,-15.03,;11.83,-15.89,;11.82,-17.42,;10.42,-17.76,;9.09,-17.27,;7.89,-18.55,;9.4,-18.13,;10.81,-18.69,;9.39,-16.54,;10.43,-15.31,;9.09,-15.79,;15.78,-14.88,;17.15,-15.58,)|
Structure:
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