UCSF

ZINC03913912

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2005 24 No

Popular Name: E-64d E-64d

Find On: PubMed — Wikipedia — Google

CAS Numbers: 88321-09-9 , [88321-09-9]

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) 1.88 4.57 -11.92 2 7 0 97 342.436 11 ↓

Vendor Notes

Note Type Comments Provided By
Target Cysteine Protease Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CATG-1-E Cathepsin G (cluster #1 Of 2), Eukaryotic Eukaryotes 1100 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CATG_HUMAN P08311 Cathepsin G, Human 1100 0.35 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of Matrix Metalloproteinases
Degradation of the extracellular matrix
Metabolism of Angiotensinogen to Angiotensins
Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-l

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