UCSF

ZINC56753325

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2011 40 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.25 8.31 -51.39 8 10 1 162 545.664 10

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 25 0.27 Binding ≤ 10μM
TRY1-3-E Trypsin I (cluster #3 Of 5), Eukaryotic Eukaryotes 25 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PLMN_RAT Q01177 Plasminogen, Rat 25 0.27 Binding ≤ 1μM
TRY1_HUMAN P07477 Trypsin I, Human 25 0.27 Binding ≤ 1μM
PLMN_RAT Q01177 Plasminogen, Rat 25 0.27 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 25 0.27 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of Matrix Metalloproteinases
Cobalamin (Cbl, vitamin B12) transport and metabolism
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% )