UCSF

ZINC02569810

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 21 No

Popular Name: Cbz-L-Phenylalaninal Cbz-L-Phenylalaninal

Find On: PubMed — Wikipedia — Google

CAS Numbers: 59830-60-3 , 59830-60-3; 88191-84-8 , 88191-84-8 , [59830-60-3] , [88191-84-8]

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) 4.95 0.79 -13.07 1 4 0 55 283.327 7 ↓

Vendor Notes

Note Type Comments Provided By
Notes Inhibits cell permeable calpain I and II Apollo Scientific Bioactives

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 3000 0.37 Binding ≤ 10μM
CANX-1-E Calpain 1/2 (cluster #1 Of 1), Eukaryotic Eukaryotes 3000 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CANX_CHICK P00789 Calpain 1/2, Chick 3000 0.37 Binding ≤ 10μM
CAN2_CHICK Q92178 Calpain 2, Chick 3000 0.37 Binding ≤ 10μM

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