UCSF

ZINC13470902

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 24 No

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) 1.91 7.37 -16.08 2 5 0 82 321.38 7

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CATL1-1-E Cathepsin L (cluster #1 Of 5), Eukaryotic Eukaryotes 170 0.39 Binding ≤ 10μM
CATS-2-E Cathepsin S (cluster #2 Of 2), Eukaryotic Eukaryotes 226 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CATL1_HUMAN P07711 Cathepsin L, Human 170 0.39 Binding ≤ 1μM
CATS_HUMAN P25774 Cathepsin S, Human 226 0.39 Binding ≤ 1μM
CATL1_HUMAN P07711 Cathepsin L, Human 170 0.39 Binding ≤ 10μM
CATS_HUMAN P25774 Cathepsin S, Human 226 0.39 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Assembly of collagen fibrils and other multimeric structures
Collagen degradation
Degradation of the extracellular matrix
Endosomal/Vacuolar pathway
MHC class II antigen presentation
Trafficking and processing of endosomal TLR

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