UCSF

ZINC56834297

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2011 43 No

Popular Name: 4-[4-[(2R)-2-[[3-(3-aminopropanoylamino)phenyl]sulfonylamino]-3-(3-carbamimidoylphenyl)propanoyl]pip 4-[4-[(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) -2.40 0.13 -133.85 10 14 2 224 616.745 13 ↓

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 3600 0.18 Binding ≤ 10μM
ST14-1-E Matriptase (cluster #1 Of 1), Eukaryotic Eukaryotes 53 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ST14_HUMAN Q9Y5Y6 Matriptase, Human 53 0.24 Binding ≤ 1μM
ST14_HUMAN Q9Y5Y6 Matriptase, Human 53 0.24 Binding ≤ 10μM
PLMN_HUMAN P00747 Plasminogen, Human 3600 0.18 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.