UCSF

ZINC00966822

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2005 15 No

Popular Name: 5-[(3-bromophenyl)methylene]thiazolidine-2,4-dione 5-[(3-bromophenyl)methylene]thia…

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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) 2.27 -2.2 -5.89 1 3 0 49 284.134 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AOFB-8-E Monoamine Oxidase B (cluster #8 Of 8), Eukaryotic Eukaryotes 6070 0.49 Binding ≤ 10μM
CISD1-1-E CDGSH Iron-sulfur Domain-containing Protein 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 860 0.57 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CISD1_HUMAN Q9NZ45 CDGSH Iron-sulfur Domain-containing Protein 1, Human 860 0.57 Binding ≤ 1μM
CISD1_HUMAN Q9NZ45 CDGSH Iron-sulfur Domain-containing Protein 1, Human 860 0.57 Binding ≤ 10μM
AOFB_HUMAN P27338 Monoamine Oxidase B, Human 6070 0.49 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Monoamines are oxidized to aldehydes by MAOA and MAOB, producing NH3 and H2O2

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