UCSF

ZINC56834286

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2011 41 No

Popular Name: 4-[1-[(2R)-2-[[3-(3-aminopropanoylamino)phenyl]sulfonylamino]-3-(3-carbamimidoylphenyl)propanoyl]-4- 4-[1-[(2R)-2-[[3-(3-aminopropano…

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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) -0.01 4.92 -157.99 9 12 1 215 587.723 14 ↓
Lo Low (pH 4.5-6) -0.01 2.94 -130.68 10 12 2 212 588.731 14 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PLMN-2-E Plasminogen (cluster #2 Of 2), Eukaryotic Eukaryotes 3300 0.19 Binding ≤ 10μM
ST14-1-E Matriptase (cluster #1 Of 1), Eukaryotic Eukaryotes 255 0.23 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ST14_HUMAN Q9Y5Y6 Matriptase, Human 255 0.23 Binding ≤ 1μM
ST14_HUMAN Q9Y5Y6 Matriptase, Human 255 0.23 Binding ≤ 10μM
PLMN_HUMAN P00747 Plasminogen, Human 3300 0.19 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of Matrix Metalloproteinases
Degradation of the extracellular matrix
Dissolution of Fibrin Clot
Platelet degranulation
Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-l
Signaling by PDGF

Rings

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

No pre-computed analogs available. Try a structural similarity search.