UCSF

ZINC27618922

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 27 No

Popular Name: (2R)-2-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]-N-[(1R)-1-formyl-3-methyl-butyl]-4-methyl-pentan (2R)-2-[[(2S)-2-acetamido-4-meth…

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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) 2.41 6.43 -18.6 3 7 0 104 383.533 12 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CAN1-1-E Calpain 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 15 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CAN1_HUMAN P07384 Calpain 1, Human 15 0.41 Binding ≤ 1μM
CAN1_HUMAN P07384 Calpain 1, Human 15 0.41 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Degradation of the extracellular matrix

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