UCSF

ZINC14977751

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 21 Yes

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) 3.32 9.27 -9.69 1 6 0 79 284.367 4

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CATL1-5-E Cathepsin L (cluster #5 Of 5), Eukaryotic Eukaryotes 2530 0.37 Binding ≤ 10μM
Q6R7Z5-1-E Cathepsin B-like Cysteine Protease (cluster #1 Of 1), Eukaryotic Eukaryotes 8300 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q6R7Z5_9TRYP Q6R7Z5 Cathepsin B-like Cysteine Protease, 9tryp 8300 0.34 Binding ≤ 10μM
CATL1_HUMAN P07711 Cathepsin L, Human 2530 0.37 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% )