Reaction Details Report a problem with these data
Target
Neuraminidase
Ligand
BDBM5024
Substrate
n/a
Meas. Tech.
ChEMBL_144595 (CHEMBL747370)
IC50
11±n/a nM
Citation
Babu, YS; Chand, P; Bantia, S; Kotian, P; Dehghani, A; El-Kattan, Y; Lin, TH; Hutchison, TL; Elliott, AJ; Parker, CD; Ananth, SL; Horn, LL; Laver, GW; Montgomery, JA BCX-1812 (RWJ-270201): discovery of a novel, highly potent, orally active, and selective influenza neuraminidase inhibitor through structure-based drug design. J Med Chem 43:3482-6 (2000) [PubMed] Article
More Info.:
Target
Name:
Neuraminidase
Synonyms:
Influenza B Virus Neuraminidase | NA | NRAM_INBLE | Neuraminidase | Neuraminidase B
Type:
Enzyme
Mol. Mass.:
51446.67
Organism:
Influenza B virus (B/Lee/40)
Description:
n/a
Residue:
466
Sequence:
MLPSTVQTLTLLLTSGGVLLSLYVSASLSYLLYSDVLLKFSSTKTTAPTMSLECTNASNAQTVNHSATKEMTFPPPEPEWTYPRLSCQGSTFQKALLISPHRFGEIKGNSAPLIIREPFVACGPKECRHFALTHYAAQPGGYYNGTRKDRNKLRHLVSVKLGKIPTVENSIFHMAAWSGSACHDGREWTYIGVDGPDNDALVKIKYGEAYTDTYHSYAHNILRTQESACNCIGGDCYLMITDGSASGISKCRFLKIREGRIIKEILPTGRVEHTEECTCGFASNKTIECACRDNSYTAKRPFVKLNVETDTAEIRLMCTKTYLDTPRPDDGSIAGPCESNGDKWLGGIKGGFVHQRMASKIGRWYSRTMSKTNRMGMELYVKYDGDPWTDSDALTLSGVMVSIEEPGWYSFGFEIKDKKCDVPCIGIEMVHDGGKDTWHSAATAIYCLMGSGQLLWDTVTGVDMAL
Inhibitor
Name:
BDBM5024
Synonyms:
(-)-(1S,2S,3R,4R)-3-[(1S)-1-(Acetylamino)-2-ethylbutyl]-4-{[amino(imino)methyl]amino}-2-hydroxycyclopentanecarboxylic Acid | (1S,2S,3R,4R)-4-carbamimidamido-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxycyclopentane-1-carboxylic acid | BCX-1812
Type:
Small organic molecule
Emp. Form.:
C15H28N4O4
Mol. Mass.:
328.4072
SMILES:
[H][C@](NC(C)=O)(C(CC)CC)[C@@H]1[C@H](O)[C@H](C[C@H]1N=C(N)N)C(O)=O |r|