UCSF

ZINC13108877

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2008 34 No

Popular Name: Garcinone E Garcinone E

Find On: PubMed — Wikipedia — Google

Other Names:

BRD-K71193328-001-01-5

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) 8.06 8.13 -10.85 4 6 0 111 464.558 6 ↓
Hi High (pH 8-9.5) 8.06 9.02 -47.68 3 6 -1 114 463.55 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FAS-1-E Fatty Acid Synthase (cluster #1 Of 2), Eukaryotic Eukaryotes 3300 0.23 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FAS_HUMAN P49327 Fatty Acid Synthase, Human 3300 0.23 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of gene expression by SREBF (SREBP)
ChREBP activates metabolic gene expression
Fatty Acyl-CoA Biosynthesis
Vitamin B5 (pantothenate) metabolism

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