UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

133473
133473
12410537
12410537

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Popular Name: (3E)-3-acetonylideneindolin-2-one (3E)-3-acetonylideneindolin-2-one

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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 10000 0.50 Binding ≤ 10μM

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) 1.08 4.07 -8.94 1 3 0 50 187.198 1 ↓

Analogs

34219131
34219131
39257029
39257029
2598938
2598938

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

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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

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 ↓

Analogs

16638697
16638697

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Popular Name: 1-[(2,3-diketoindolin-1-yl)methyl]isatin 1-[(2,3-diketoindolin-1-yl)methy…

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Vendors

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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 10000 0.30 Binding ≤ 10μM

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) 1.47 0.76 -11.13 0 6 0 78 306.277 2 ↓

Analogs

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Popular Name: (3E)-3-[2-oxo-2-(3-pyridyl)ethylidene]indolin-2-one (3E)-3-[2-oxo-2-(3-pyridyl)ethyl…

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And 1 More

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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 8500 0.37 Binding ≤ 10μM

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) 1.45 5.15 -10.94 1 4 0 63 250.257 2 ↓

Analogs

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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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And 2 More

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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

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 ↓

Analogs

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Popular Name: 2-(6-methyl-4-oxo-3,5-diphenyl-thieno[5,4-d]pyrimidin-2-yl)sulfanylacetohydrazide 2-(6-methyl-4-oxo-3,5-diphenyl-t…

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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 160 0.33 Binding ≤ 10μM

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) 2.61 9.52 -19.4 3 6 0 90 422.535 5 ↓

Analogs

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Popular Name: Indirubin Indirubin

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Vendors

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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 8000 0.36 Binding ≤ 10μM
Z80186-1-O K562 (Erythroleukemia Cells) (cluster #1 Of 11), Other Other 6700 0.36 Functional ≤ 10μM
Z81115-1-O KB (Squamous Cell Carcinoma) (cluster #1 Of 6), Other Other 1600 0.41 Functional ≤ 10μM

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) 2.90 4.81 -12.9 2 4 0 66 262.268 0 ↓

Parameters Provided:

target.name = TGM2-1-E
target.type = B10
page.format = summary
page.num = 1
filter.purchasability = purchasable

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'TGM2-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?target.name=TGM2-1-E&target.type=B10&filter.purchasability=purchasable

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