UCSF

ZINC01544687

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 25 No

Popular Name: SJA-6017 SJA-6017

Find On: PubMed — Wikipedia — Google

CAS Number: 190274-53-4

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) 2.85 4.53 -14.01 2 6 0 92 372.462 9 ↓

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 8 0.45 Binding ≤ 10μM
CAN2-1-E Calpain 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 78 0.40 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CAN1_PIG P35750 Calpain 1, Pig 35 0.42 Binding ≤ 1μM
CAN1_HUMAN P07384 Calpain 1, Human 22 0.43 Binding ≤ 1μM
CAN2_PIG P43367 Calpain 2, Pig 49 0.41 Binding ≤ 1μM
CAN1_PIG P35750 Calpain 1, Pig 35 0.42 Binding ≤ 10μM
CAN1_HUMAN P07384 Calpain 1, Human 22 0.43 Binding ≤ 10μM
CAN2_PIG P43367 Calpain 2, Pig 49 0.41 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Degradation of the extracellular matrix

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