UCSF

ZINC03936607

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2005 32 Yes

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) 1.45 4.78 -43.04 5 8 1 127 453.544 7

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 47 0.32 Binding ≤ 10μM
FA10-1-E Coagulation Factor X (cluster #1 Of 2), Eukaryotic Eukaryotes 47 0.32 Binding ≤ 10μM
PLMN-2-E Plasminogen (cluster #2 Of 2), Eukaryotic Eukaryotes 4700 0.23 Binding ≤ 10μM
PROC-1-E Vitamin K-dependent Protein C (cluster #1 Of 1), Eukaryotic Eukaryotes 1200 0.26 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 1400 0.26 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 1430 0.26 Binding ≤ 10μM
TRY1-4-E Trypsin I (cluster #4 Of 5), Eukaryotic Eukaryotes 850 0.27 Binding ≤ 10μM
TRY2-1-E Trypsin II (cluster #1 Of 3), Eukaryotic Eukaryotes 853 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_BOVIN P00743 Coagulation Factor X, Bovin 47 0.32 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 47 0.32 Binding ≤ 1μM
TRY1_HUMAN P07477 Trypsin I, Human 850 0.27 Binding ≤ 1μM
TRY2_BOVIN Q29463 Trypsin II, Bovin 850 0.27 Binding ≤ 1μM
FA10_BOVIN P00743 Coagulation Factor X, Bovin 47 0.32 Binding ≤ 10μM
FA10_HUMAN P00742 Coagulation Factor X, Human 47 0.32 Binding ≤ 10μM
PLMN_HUMAN P00747 Plasminogen, Human 4700 0.23 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 1400 0.26 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 850 0.27 Binding ≤ 10μM
TRY2_BOVIN Q29463 Trypsin II, Bovin 850 0.27 Binding ≤ 10μM
PROC_HUMAN P04070 Vitamin K-dependent Protein C, Human 1200 0.26 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% )