UCSF

ZINC04426033

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 43 No

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) 4.30 10.52 -48.64 5 10 1 148 614.833 12

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 1200 0.19 Binding ≤ 10μM
TRY2-1-E Trypsin II (cluster #1 Of 3), Eukaryotic Eukaryotes 120 0.23 Binding ≤ 10μM
UROK-2-E Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic Eukaryotes 960 0.20 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TRY2_BOVIN Q29463 Trypsin II, Bovin 120 0.23 Binding ≤ 1μM
UROK_HUMAN P00749 Urokinase-type Plasminogen Activator, Human 960 0.20 Binding ≤ 1μM
PLMN_HUMAN P00747 Plasminogen, Human 1200 0.19 Binding ≤ 10μM
TRY2_BOVIN Q29463 Trypsin II, Bovin 120 0.23 Binding ≤ 10μM
UROK_HUMAN P00749 Urokinase-type Plasminogen Activator, Human 960 0.20 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

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