UCSF

ZINC45389033

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 25 No

Popular Name: (5Z)-5-[[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]methylene]thiazolidine-2,4-dione (5Z)-5-[[4-(1,3-benzodioxol-5-yl…

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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) 3.02 4.95 -13.12 1 6 0 78 355.371 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PGDH-1-E 15-hydroxyprostaglandin Dehydrogenase [NAD+] (cluster #1 Of 1), Eukaryotic Eukaryotes 252 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PGDH_HUMAN P15428 15-hydroxyprostaglandin Dehydrogenase [NAD+], Human 252 0.37 Binding ≤ 1μM
PGDH_HUMAN P15428 15-hydroxyprostaglandin Dehydrogenase [NAD+], Human 252 0.37 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Synthesis of Lipoxins (LX)
Synthesis of Prostaglandins (PG) and Thromboxanes (TX)

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

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