UCSF

ZINC04100450

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 25 Yes

Popular Name: [5-amino-1-(4-methoxyphenyl)sulfonyl-pyrazol-3-yl] [5-amino-1-(4-methoxyphenyl)sulf…

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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) 2.51 3.49 -18.45 2 8 0 114 379.419 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CATB-1-E Cathepsin B (cluster #1 Of 6), Eukaryotic Eukaryotes 690 0.35 Binding ≤ 10μM
POLG-1-V Genome Polyprotein (cluster #1 Of 3), Viral Viruses 110 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CATB_HUMAN P07858 Cathepsin B, Human 690 0.35 Binding ≤ 1μM
POLG_WNV P06935 Genome Polyprotein, Wnv 110 0.39 Binding ≤ 1μM
CATB_HUMAN P07858 Cathepsin B, Human 690 0.35 Binding ≤ 10μM
POLG_WNV P06935 Genome Polyprotein, Wnv 110 0.39 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Assembly of collagen fibrils and other multimeric structures
Collagen degradation
MHC class II antigen presentation
Trafficking and processing of endosomal TLR

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

No pre-computed analogs available. Try a structural similarity search.