UCSF

ZINC43203108

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2010 24 Yes

Other Names:

MFCD20527803

WAY-262611

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) 3.41 11.06 -51.54 3 4 1 57 319.432 3

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DKK1-1-E Dickkopf-related Protein 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 630 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DKK1_HUMAN O94907 Dickkopf-related Protein 1, Human 630 0.36 Binding ≤ 1μM
DKK1_HUMAN O94907 Dickkopf-related Protein 1, Human 630 0.36 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
misspliced LRP5 mutants have enhanced beta-catenin-dependent signaling
negative regulation of TCF-dependent signaling by WNT ligand antagonists
TCF dependent signaling in response to WNT

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

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