UCSF

ZINC04654676

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2005 22 No

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) -1.25 -5.42 -35.45 4 5 1 84 296.302 0

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CDC42-1-E Cell Division Control Protein 42 Homolog (cluster #1 Of 1), Eukaryotic Eukaryotes 6000 0.33 Binding ≤ 10μM
RAC1-1-E Ras-related C3 Botulinum Toxin Substrate 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 8000 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CDC42_HUMAN P60953 Cell Division Control Protein 42 Homolog, Human 6000 0.33 Binding ≤ 10μM
RAC1_HUMAN P63000 Ras-related C3 Botulinum Toxin Substrate 1, Human 8000 0.32 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of Rac
CD28 dependent Vav1 pathway
CDO in myogenesis
DAP12 signaling
DCC mediated attractive signaling
DSCAM interactions
EGFR downregulation
EPH-ephrin mediated repulsion of cells
EPHB-mediated forward signaling
Ephrin signaling
Factors involved in megakaryocyte development and platelet production
FCERI mediated MAPK activation
G alpha (12/13) signalling events
GPVI-mediated activation cascade
Inactivation of Cdc42 and Rac
Nef and signal transduction
NRAGE signals death through JNK
PCP/CE pathway
Regulation of actin dynamics for phagocytic cup formation
Rho GTPase cycle
Sema3A PAK dependent Axon repulsion
SEMA3A-Plexin repulsion signaling by inhibiting Integrin adhesion
Sema4D induced cell migration and growth-cone collapse
Sema4D mediated inhibition of cell attachment and migration
Signal transduction by L1
Signaling by SCF-KIT
Translocation of GLUT4 to the plasma membrane
VEGFA-VEGFR2 Pathway
VEGFR2 mediated vascular permeability

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

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