UCSF

ZINC01239495

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2004 27 No

Popular Name: 3-[(5Z)-5-(3-bromobenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]-N-(2-hydroxyphenyl)propionamide 3-[(5Z)-5-(3-bromobenzylidene)-4…

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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) 3.49 -4.3 -12.46 2 5 0 71 463.378 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DDX3X-1-E ATP-dependent RNA Helicase DDX3X (cluster #1 Of 1), Eukaryotic Eukaryotes 5400 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DDX3X_HUMAN O00571 ATP-dependent RNA Helicase DDX3X, Human 5400 0.27 Binding ≤ 10μM

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

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