UCSF

ZINC00897469

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 28 No

Popular Name: 2-[(4-keto-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetohydrazide 2-[(4-keto-3,5-diphenyl-thieno[2…

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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) 2.38 -5.8 -17.24 3 6 0 90 408.508 5 ↓

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 800 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TGM2_HUMAN P21980 Protein-glutamine Gamma-glutamyltransferase, Human 250 0.33 Binding ≤ 1μM
TGM2_HUMAN P21980 Protein-glutamine Gamma-glutamyltransferase, Human 250 0.33 Binding ≤ 10μM

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

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