UCSF

ZINC13800223

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 30 Yes

Popular Name: DNC004439 DNC004439

Find On: PubMed — Wikipedia — Google

Other Names:

RPR-118071

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) 1.42 5.49 -40.89 5 7 1 118 423.518 6 ↓

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 80 0.33 Binding ≤ 10μM
PLMN-2-E Plasminogen (cluster #2 Of 2), Eukaryotic Eukaryotes 4700 0.25 Binding ≤ 10μM
PROC-1-E Vitamin K-dependent Protein C (cluster #1 Of 1), Eukaryotic Eukaryotes 7000 0.24 Binding ≤ 10μM
TRY2-1-E Trypsin II (cluster #1 Of 3), Eukaryotic Eukaryotes 2900 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 230 0.31 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 230 0.31 Binding ≤ 10μM
PLMN_HUMAN P00747 Plasminogen, Human 4700 0.25 Binding ≤ 10μM
TRY2_BOVIN Q29463 Trypsin II, Bovin 2900 0.26 Binding ≤ 10μM
PROC_HUMAN P04070 Vitamin K-dependent Protein C, Human 7000 0.24 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of Matrix Metalloproteinases
Cell surface interactions at the vascular wall
Common Pathway
Degradation of the extracellular matrix
Dissolution of Fibrin Clot
Extrinsic Pathway
Gamma-carboxylation of protein precursors
Intrinsic Pathway
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
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.