UCSF

ZINC05608787

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2006 33 Yes

Popular Name: N-carbobenzoxy-l-phenylalanyl-l-phenylalanine N-carbobenzoxy-l-phenylalanyl-l-…

Find On: PubMed — Wikipedia — Google

CAS Number: 13122-91-3

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) 3.82 11.54 -52.19 2 7 -1 108 445.495 11 ↓

Vendor Notes

Note Type Comments Provided By
MP 159 TCI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CAN2-1-E Calpain 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 104 0.30 Binding ≤ 10μM
CATB-1-E Cathepsin B (cluster #1 Of 6), Eukaryotic Eukaryotes 70 0.30 Binding ≤ 10μM
CATL1-1-E Cathepsin L (cluster #1 Of 5), Eukaryotic Eukaryotes 1 0.38 Binding ≤ 10μM
CATL2-1-E Cathepsin L2 (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CAN2_HUMAN P17655 Calpain 2, Human 104 0.30 Binding ≤ 1μM
CATB_HUMAN P07858 Cathepsin B, Human 69.7 0.30 Binding ≤ 1μM
CATL1_HUMAN P07711 Cathepsin L, Human 0.74 0.39 Binding ≤ 1μM
CATL2_HUMAN O60911 Cathepsin L2, Human 0.74 0.39 Binding ≤ 1μM
CAN2_HUMAN P17655 Calpain 2, Human 104 0.30 Binding ≤ 10μM
CATB_HUMAN P07858 Cathepsin B, Human 69.7 0.30 Binding ≤ 10μM
CATL1_HUMAN P07711 Cathepsin L, Human 0.74 0.39 Binding ≤ 10μM
CATL2_HUMAN O60911 Cathepsin L2, Human 0.74 0.39 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% )

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