UCSF

ZINC03149586

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 23 Yes

Popular Name: 5-(2,3-diketoindolin-5-yl)oxyisatin 5-(2,3-diketoindolin-5-yl)oxyisatin

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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) 1.43 -2.22 -17.38 2 7 0 109 308.249 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TGM2-1-E Protein-glutamine Gamma-glutamyltransferase (cluster #1 Of 1), Eukaryotic Eukaryotes 3000 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TGM2_HUMAN P21980 Protein-glutamine Gamma-glutamyltransferase, Human 3000 0.34 Binding ≤ 10μM

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