UCSF

ZINC04535621

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 30 Yes

Popular Name: Z-phe-leu-oh Z-phe-leu-oh

Find On: PubMed — Wikipedia — Google

CAS Number: 4313-73-9

Other Names:

MFCD00038301

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) 3.67 -1.23 -52.82 2 7 -1 107 411.478 11 ↓

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 18 0.36 Binding ≤ 10μM
CATL1-1-E Cathepsin L (cluster #1 Of 5), Eukaryotic Eukaryotes 1 0.42 Binding ≤ 10μM
CATL2-1-E Cathepsin L2 (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.42 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CATB_HUMAN P07858 Cathepsin B, Human 17.7 0.36 Binding ≤ 1μM
CATL1_HUMAN P07711 Cathepsin L, Human 0.78 0.43 Binding ≤ 1μM
CATL2_HUMAN O60911 Cathepsin L2, Human 0.78 0.43 Binding ≤ 1μM
CATB_HUMAN P07858 Cathepsin B, Human 17.7 0.36 Binding ≤ 10μM
CATL1_HUMAN P07711 Cathepsin L, Human 0.78 0.43 Binding ≤ 10μM
CATL2_HUMAN O60911 Cathepsin L2, Human 0.78 0.43 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of Matrix Metalloproteinases
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% )