UCSF

ZINC08431474

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 18 No

Popular Name: N,N-(4-Xylylidene)bisaminoguanidine N,N-(4-Xylylidene)bisaminoguanidine

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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) -0.98 4.23 -71.27 10 8 2 157 248.294 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FURIN-1-E Furin (cluster #1 Of 2), Eukaryotic Eukaryotes 1470 0.45 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FURIN_HUMAN P09958 Furin, Human 1470 0.45 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of Matrix Metalloproteinases
Collagen degradation
Elastic fibre formation
NGF processing
Pre-NOTCH Processing in Golgi
Removal of aminoterminal propeptides from gamma-carboxylated proteins
Signaling by NODAL
Signaling by PDGF
Synthesis and processing of ENV and VPU
TGF-beta receptor signaling activates SMADs
Uptake and function of anthrax toxins

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