UCSF

ZINC04426028

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 10.74 -41.24 5 10 1 148 614.833 12

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FA10-1-E Coagulation Factor X (cluster #1 Of 2), Eukaryotic Eukaryotes 1700 0.19 Binding ≤ 10μM
KLKB1-1-E Plasma Kallikrein (cluster #1 Of 3), Eukaryotic Eukaryotes 7200 0.17 Binding ≤ 10μM
PLMN-2-E Plasminogen (cluster #2 Of 2), Eukaryotic Eukaryotes 390 0.21 Binding ≤ 10μM
ST14-1-E Matriptase (cluster #1 Of 1), Eukaryotic Eukaryotes 320 0.21 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 490 0.21 Binding ≤ 10μM
TRY1-4-E Trypsin I (cluster #4 Of 5), Eukaryotic Eukaryotes 37 0.24 Binding ≤ 10μM
TRYG1-1-E Tryptase Gamma (cluster #1 Of 1), Eukaryotic Eukaryotes 6300 0.17 Binding ≤ 10μM
UROK-2-E Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic Eukaryotes 410 0.21 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ST14_HUMAN Q9Y5Y6 Matriptase, Human 320 0.21 Binding ≤ 1μM
PLMN_RAT Q01177 Plasminogen, Rat 390 0.21 Binding ≤ 1μM
PLMN_HUMAN P00747 Plasminogen, Human 390 0.21 Binding ≤ 1μM
THRB_HUMAN P00734 Thrombin, Human 490 0.21 Binding ≤ 1μM
TRY1_BOVIN P00760 Trypsin I, Bovin 37 0.24 Binding ≤ 1μM
UROK_HUMAN P00749 Urokinase-type Plasminogen Activator, Human 410 0.21 Binding ≤ 1μM
FA10_BOVIN P00743 Coagulation Factor X, Bovin 1700 0.19 Binding ≤ 10μM
FA10_HUMAN P00742 Coagulation Factor X, Human 1700 0.19 Binding ≤ 10μM
ST14_HUMAN Q9Y5Y6 Matriptase, Human 320 0.21 Binding ≤ 10μM
KLKB1_HUMAN P03952 Plasma Kallikrein, Human 7200 0.17 Binding ≤ 10μM
PLMN_RAT Q01177 Plasminogen, Rat 390 0.21 Binding ≤ 10μM
PLMN_HUMAN P00747 Plasminogen, Human 390 0.21 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 490 0.21 Binding ≤ 10μM
TRY1_BOVIN P00760 Trypsin I, Bovin 37 0.24 Binding ≤ 10μM
TRYG1_HUMAN Q9NRR2 Tryptase Gamma, Human 6300 0.17 Binding ≤ 10μM
UROK_HUMAN P00749 Urokinase-type Plasminogen Activator, Human 410 0.21 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of Matrix Metalloproteinases
Cell surface interactions at the vascular wall
Common Pathway
Degradation of the extracellular matrix
Dissolution of Fibrin Clot
Extrinsic Pathway
G alpha (q) signalling events
Gamma-carboxylation of protein precursors
Intrinsic Pathway
Peptide ligand-binding receptors
Platelet Aggregation (Plug Formation)
Platelet degranulation
Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-l
Removal of aminoterminal propeptides from gamma-carboxylated proteins
Signaling by PDGF
Thrombin signalling through proteinase activated receptors (PARs)
Transport of gamma-carboxylated protein precursors from the endoplasmic reticulu

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