UCSF

ZINC00001763

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2005 26 Yes

Popular Name: Nafamostat mesylate Nafamostat mesylate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 81525-10-2 , 81525-10-2; 82956-11-4 , 82956-11-4 , [82956-11-4]

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) 2.29 7.87 -80.13 9 7 2 142 349.394 6 ↓

Vendor Notes

Note Type Comments Provided By
Indications anticoagulant KeyOrganics Bioactives
Indications protease inhibitor KeyOrganics Bioactives
Target Proteasome Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
C1R-1-E Complement C1r (cluster #1 Of 1), Eukaryotic Eukaryotes 1040 0.32 Binding ≤ 10μM
C1S-1-E Complement C1s (cluster #1 Of 1), Eukaryotic Eukaryotes 140 0.37 Binding ≤ 10μM
KLK1-1-E Kallikrein 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 650 0.33 Binding ≤ 10μM
PLMN-1-E Plasminogen (cluster #1 Of 2), Eukaryotic Eukaryotes 2900 0.30 Binding ≤ 10μM
THRB-8-E Prothrombin (cluster #8 Of 8), Eukaryotic Eukaryotes 290 0.35 Binding ≤ 10μM
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 20 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
C1R_HUMAN P00736 Complement C1r, Human 1000 0.32 Binding ≤ 1μM
C1S_HUMAN P09871 Complement C1s, Human 140 0.37 Binding ≤ 1μM
KLK1_HUMAN P06870 Kallikrein 1, Human 650 0.33 Binding ≤ 1μM
PLMN_HUMAN P00747 Plasminogen, Human 240 0.36 Binding ≤ 1μM
THRB_HUMAN P00734 Thrombin, Human 290 0.35 Binding ≤ 1μM
TRY1_HUMAN P07477 Trypsin I, Human 17 0.42 Binding ≤ 1μM
TRY1_BOVIN P00760 Trypsin I, Bovin 17 0.42 Binding ≤ 1μM
C1R_HUMAN P00736 Complement C1r, Human 1000 0.32 Binding ≤ 10μM
C1S_HUMAN P09871 Complement C1s, Human 140 0.37 Binding ≤ 10μM
KLK1_HUMAN P06870 Kallikrein 1, Human 650 0.33 Binding ≤ 10μM
PLMN_HUMAN P00747 Plasminogen, Human 240 0.36 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 1900 0.31 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 17 0.42 Binding ≤ 10μM
TRY1_BOVIN P00760 Trypsin I, Bovin 17 0.42 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of Matrix Metalloproteinases
Cell surface interactions at the vascular wall
Classical antibody-mediated complement activation
Cobalamin (Cbl, vitamin B12) transport and metabolism
Common Pathway
Degradation of the extracellular matrix
Dissolution of Fibrin Clot
G alpha (q) signalling events
Gamma-carboxylation of protein precursors
Initial triggering of complement
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.