UCSF

ZINC02384806

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 27 Yes

Popular Name: Z-Phe-Ala Z-Phe-Ala

Find On: PubMed — Wikipedia — Google

CAS Numbers: 21881-18-5 , [21881-18-5]

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) 2.36 -2.18 -43.82 2 7 -1 107 369.397 9 ↓

Vendor Notes

Note Type Comments Provided By
MP 151-154 °C Indofine
MP 154o C Indofine
Purity 95% Fluorochem
APPEARANCE Clear,colorless solution(50mg/ml in MeOH) Indofine

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 45 0.38 Binding ≤ 10μM
CATL1-1-E Cathepsin L (cluster #1 Of 5), Eukaryotic Eukaryotes 16 0.40 Binding ≤ 10μM
CATL2-1-E Cathepsin L2 (cluster #1 Of 1), Eukaryotic Eukaryotes 16 0.40 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CATB_HUMAN P07858 Cathepsin B, Human 45.1 0.38 Binding ≤ 1μM
CATL1_HUMAN P07711 Cathepsin L, Human 15.5 0.40 Binding ≤ 1μM
CATL2_HUMAN O60911 Cathepsin L2, Human 15.5 0.40 Binding ≤ 1μM
CATB_HUMAN P07858 Cathepsin B, Human 45.1 0.38 Binding ≤ 10μM
CATL1_HUMAN P07711 Cathepsin L, Human 15.5 0.40 Binding ≤ 10μM
CATL2_HUMAN O60911 Cathepsin L2, Human 15.5 0.40 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% )