UCSF

ZINC28472092

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2009 28 Yes

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) 3.49 11.05 -61.03 3 4 1 53 376.524 4

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TRYB1-1-E Tryptase Beta-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 310 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TRYB1_HUMAN Q15661 Tryptase Beta-1, Human 310 0.33 Binding ≤ 1μM
TRYB1_HUMAN Q15661 Tryptase Beta-1, Human 310 0.33 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of Matrix Metalloproteinases

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