UCSF

ZINC03777328

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) -0.05 -5.51 -84.93 8 9 2 146 418.542 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 7600 0.24 Binding ≤ 10μM
PLMN-2-E Plasminogen (cluster #2 Of 2), Eukaryotic Eukaryotes 670 0.29 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 9 0.38 Binding ≤ 10μM
TPA-1-E Tissue-type Plasminogen Activator (cluster #1 Of 1), Eukaryotic Eukaryotes 34 0.35 Binding ≤ 10μM
TRY1-3-E Trypsin I (cluster #3 Of 5), Eukaryotic Eukaryotes 8 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 16 0.36 Binding ≤ 1μM
PLMN_HUMAN P00747 Plasminogen, Human 230 0.31 Binding ≤ 1μM
THRB_BOVIN P00735 Thrombin, Bovin 8.9 0.38 Binding ≤ 1μM
THRB_HUMAN P00734 Thrombin, Human 0.1 0.47 Binding ≤ 1μM
TPA_HUMAN P00750 Tissue-type Plasminogen Activator, Human 34 0.35 Binding ≤ 1μM
TRY1_HUMAN P07477 Trypsin I, Human 8 0.38 Binding ≤ 1μM
TRY1_BOVIN P00760 Trypsin I, Bovin 0.1 0.47 Binding ≤ 1μM
FA10_BOVIN P00743 Coagulation Factor X, Bovin 7600 0.24 Binding ≤ 10μM
FA10_HUMAN P00742 Coagulation Factor X, Human 16 0.36 Binding ≤ 10μM
PLMN_HUMAN P00747 Plasminogen, Human 230 0.31 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 0.1 0.47 Binding ≤ 10μM
THRB_BOVIN P00735 Thrombin, Bovin 8.9 0.38 Binding ≤ 10μM
TPA_HUMAN P00750 Tissue-type Plasminogen Activator, Human 34 0.35 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 8 0.38 Binding ≤ 10μM
TRY1_BOVIN P00760 Trypsin I, Bovin 0.1 0.47 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of Matrix Metalloproteinases
Cell surface interactions at the vascular wall
Cobalamin (Cbl, vitamin B12) transport and metabolism
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% )