UCSF

ZINC45337634

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 22 No

Popular Name: CAY10638 CAY10638

Find On: PubMed — Wikipedia — Google

CAS Number: 1221413-57-5

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) 3.24 6.17 -8.7 1 4 0 59 331.418 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 31 0.48 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PGDH_HUMAN P15428 15-hydroxyprostaglandin Dehydrogenase [NAD+], Human 31 0.48 Binding ≤ 1μM
PGDH_HUMAN P15428 15-hydroxyprostaglandin Dehydrogenase [NAD+], Human 31 0.48 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.