UCSF

ZINC28131730

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2009 47 No

Popular Name: N-[(1S)-4-guanidino-1-[4-[(2S,5S)-5-[4-(5-guanidinopentanoylamino)butyl]-3,6-dioxo-piperazin-2-yl]bu N-[(1S)-4-guanidino-1-[4-[(2S,5S…

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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) -1.22 4.59 -101.39 15 16 2 273 659.837 24 ↓

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 9300 0.15 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TRYB1_HUMAN Q15661 Tryptase Beta-1, Human 9300 0.15 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of Matrix Metalloproteinases

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