UCSF

ZINC45390663

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 24 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) 3.19 5.58 -10.15 1 5 0 68 341.388 5

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 529 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 529 0.37 Binding ≤ 1μM
PGDH_HUMAN P15428 15-hydroxyprostaglandin Dehydrogenase [NAD+], Human 529 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% )