UCSF

ZINC13475931

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 22 No

Popular Name: 3-[5-[(Z)-(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-2-furyl]benzoic 3-[5-[(Z)-(4-oxo-2-thioxo-thiazo…

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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) 3.35 5.92 -119.58 0 5 -2 89 329.358 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PK3CG-2-E PI3-kinase P110-gamma Subunit (cluster #2 Of 3), Eukaryotic Eukaryotes 920 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PK3CG_HUMAN P48736 PI3-kinase P110-gamma Subunit, Human 920 0.38 Binding ≤ 1μM
PK3CG_HUMAN P48736 PI3-kinase P110-gamma Subunit, Human 920 0.38 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G beta:gamma signalling through PI3Kgamma
GPVI-mediated activation cascade
Synthesis of PIPs at the plasma membrane

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

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