UCSF

ZINC03918138

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2005 23 No

Popular Name: Zanamivir Zanamivir

Find On: PubMed — Wikipedia — Google

CAS Numbers: 139110-80-8 , [139110-80-8]

Download: MOL2 SDF SMILES Flexibase

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) -3.51 -12.29 -65.75 9 11 0 202 332.313 7 ↓

Vendor Notes

Note Type Comments Provided By
Target Antifection Selleck Chemicals
Indications antiviral KeyOrganics Bioactives
Patent Database Links EP1772155; EP1785145; EP1970061; US2005038108; US2005043399; US2005054718; US2005054719; US2007189977; US2007191322; US2007196323; US2007196325; US2007196452; US2007196453; US2007219239; US2008255073; WO2006097323; WO2007121318; WO2007128349; WO2007129290 ChEBI
UniProt Database Links GANR_BACSU; NRAM_I000F; NRAM_I00A0; NRAM_I00A1; NRAM_I01A0; NRAM_I01A1; NRAM_I01A2; NRAM_I01A3; NRAM_I02A1; NRAM_I02A2; NRAM_I02A3; NRAM_I02A4; NRAM_I02A5; NRAM_I02A6; NRAM_I02A7; NRAM_I03A0; NRAM_I03A1; NRAM_I05A1; NRAM_I06A0; NRAM_I07A0; NRAM_I18A0; NRA ChEBI
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP00400z NIH Clinical Collection via PubChem
Target Others Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP00400z NIH Clinical Collection via PubChem

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 3 0.52 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NRAM_I34A1 P03468 Neuraminidase, I34a1 0.77 0.55 Binding ≤ 1μM
NRAM_I34A1 P03468 Neuraminidase, I34a1 0.77 0.55 Binding ≤ 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% )