UCSF

ZINC03871731

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 25 Yes

Other Names:

DNC000273

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) -0.18 -8.98 -84.77 10 8 2 160 334.387 4

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FA10-2-E Coagulation Factor X (cluster #2 Of 2), Eukaryotic Eukaryotes 4500 0.30 Binding ≤ 10μM
PLMN-1-E Plasminogen (cluster #1 Of 2), Eukaryotic Eukaryotes 2650 0.31 Binding ≤ 10μM
THRB-4-E Prothrombin (cluster #4 Of 8), Eukaryotic Eukaryotes 4150 0.30 Binding ≤ 10μM
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 4400 0.30 Binding ≤ 10μM
TRY2-1-E Trypsin II (cluster #1 Of 3), Eukaryotic Eukaryotes 4400 0.30 Binding ≤ 10μM
TRY3-1-E Trypsin III (cluster #1 Of 1), Eukaryotic Eukaryotes 4400 0.30 Binding ≤ 10μM
TRYB1-1-E Tryptase Beta-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 51 0.41 Binding ≤ 10μM
UROK-1-E Urokinase-type Plasminogen Activator (cluster #1 Of 4), Eukaryotic Eukaryotes 2330 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TRY1_BOVIN P00760 Trypsin I, Bovin 17 0.44 Binding ≤ 1μM
TRYB1_HUMAN Q15661 Tryptase Beta-1, Human 140 0.38 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 4500 0.30 Binding ≤ 10μM
PLMN_HUMAN P00747 Plasminogen, Human 2650 0.31 Binding ≤ 10μM
THRB_BOVIN P00735 Thrombin, Bovin 4150 0.30 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 4400 0.30 Binding ≤ 10μM
TRY1_BOVIN P00760 Trypsin I, Bovin 17 0.44 Binding ≤ 10μM
TRY2_HUMAN P07478 Trypsin II, Human 4400 0.30 Binding ≤ 10μM
TRY3_HUMAN P35030 Trypsin III, Human 4400 0.30 Binding ≤ 10μM
TRYB1_HUMAN Q15661 Tryptase Beta-1, Human 140 0.38 Binding ≤ 10μM
UROK_HUMAN P00749 Urokinase-type Plasminogen Activator, Human 2330 0.32 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

No pre-computed analogs available. Try a structural similarity search.