Reaction Details Report a problem with these data
Target
Matrix protein 2 [1-96]
Ligand
BDBM50079996
Substrate
n/a
Meas. Tech.
ChEMBL_1471017 (CHEMBL3420249)
IC50
17200±n/a nM
Citation
Rey-Carrizo, M; Gazzarrini, S; Llabrés, S; Frigolé-Vivas, M; Juárez-Jiménez, J; Font-Bardia, M; Naesens, L; Moroni, A; Luque, FJ; Vázquez, S New polycyclic dual inhibitors of the wild type and the V27A mutant M2 channel of the influenza A virus with unexpected binding mode. Eur J Med Chem 96:318-29 (2015) [PubMed] Article
More Info.:
Target
Name:
Matrix protein 2 [1-96]
Synonyms:
M | M2_I72A2 | Matrix protein 2
Type:
PROTEIN
Mol. Mass.:
11051.96
Organism:
Influenza A virus
Description:
ChEMBL_1453980
Residue:
96
Sequence:
MSLLTEVETPIRNEWGCRCNDSSDPLVVAASIIGILHLILWILDRLFFKCIYRFFEHGLKRGPSTEGVPESMREEYRKEQQSAVDADDSHFVSIEL
Inhibitor
Name:
BDBM50079996
Synonyms:
CHEMBL3415948
Type:
Small organic molecule
Emp. Form.:
C16H21N
Mol. Mass.:
227.3446
SMILES:
[H][C@]12[C@@]3([H])[C@@]4([H])[C@@]1([H])[C@]1([H])[C@@]5([H])CNC[C@@]5([H])[C@@]4([H])[C@@]4([H])[C@]3([H])CC[C@]2([H])[C@@]14[H] |r,TLB:21:19:8:25.1,2:1:17.19.4:8,25:27:4.6:10.15,1:2:17:8.27.6,10:8:17:21.2,10:8:17.19.4:25.1,14:15:19.27:4.6,THB:12:10:19.27:4.6,21:19:4.6:10.15,23:21:17:8.27.6,2:4:8:25.1,2:4:19.27:10.15,25:27:17:21.2,24:25:17.19.4:8,1:6:17:21.2,1:6:19.27:10.15|