UCSF

ZINC00601247

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2005 29 Yes

Popular Name: CAMOSTAT MESILATE CAMOSTAT MESILATE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 59721-28-7 , 59721-29-8 , [59721-29-8]

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) 1.69 10.43 -49.83 5 9 1 137 399.427 10 ↓

Vendor Notes

Note Type Comments Provided By
Indications antipancreatitis KeyOrganics Bioactives
Target HCV Protease Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KLK1-1-E Kallikrein 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 1480 0.28 Binding ≤ 10μM
PLMN-2-E Plasminogen (cluster #2 Of 2), Eukaryotic Eukaryotes 2620 0.27 Binding ≤ 10μM
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 51 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TRY1_HUMAN P07477 Trypsin I, Human 50.6 0.35 Binding ≤ 1μM
KLK1_HUMAN P06870 Kallikrein 1, Human 1480 0.28 Binding ≤ 10μM
PLMN_RAT Q01177 Plasminogen, Rat 2620 0.27 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 50.6 0.35 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of Matrix Metalloproteinases
Cobalamin (Cbl, vitamin B12) transport and metabolism
Degradation of the extracellular matrix
Dissolution of Fibrin Clot
Platelet degranulation
Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-l
Signaling by PDGF

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

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