UCSF

ZINC03981610

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.10 2.44 -59.87 7 8 0 153 328.413 8
Hi High (pH 8-9.5) 4.77 23.55 -33.73 0 5 1 56 588.683 9

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Target Others Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NRAM-1-V Neuraminidase (cluster #1 Of 2), Viral Viruses 5 0.51 Binding ≤ 10μM
Z50522-1-O Unidentified Influenza Virus (cluster #1 Of 2), Other Other 8400 0.31 Functional ≤ 10μM
Z50523-1-O Influenza B Virus (cluster #1 Of 1), Other Other 3 0.52 Functional ≤ 10μM
Z50652-1-O Influenza A Virus (cluster #1 Of 4), Other Other 98 0.43 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NRAM_INBLE P03474 Neuraminidase, Inble 11 0.48 Binding ≤ 1μM
NRAM_I34A1 P03468 Neuraminidase, I34a1 1 0.55 Binding ≤ 1μM
NRAM_INBLE P03474 Neuraminidase, Inble 11 0.48 Binding ≤ 10μM
NRAM_I34A1 P03468 Neuraminidase, I34a1 1 0.55 Binding ≤ 10μM
Z50652 Z50652 Influenza A Virus 0.1 0.61 Functional ≤ 10μM
Z50523 Z50523 Influenza B Virus 3 0.52 Functional ≤ 10μM
Z50522 Z50522 Unidentified Influenza Virus 8400 0.31 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Assembly of Viral Components at the Budding Site
Budding
Entry of Influenza Virion into Host Cell via Endocytosis
Fusion of the Influenza Virion to the Host Cell Endosome
Influenza Life Cycle
Influenza Virus Induced Apoptosis
Packaging of Eight RNA Segments
Release
Transport of HA trimer, NA tetramer and M2 tetramer from the endoplasmic reticul
Uncoating of the Influenza Virion
Viral mRNA Translation

Analogs ( Draw Identity 99% 90% 80% 70% )