UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (E)-3-(2-(1H-TETRAZOL-5-YL)VINYL)-6-FLUORO-1H-INDOLE (E)-3-(2-(1H-TETRAZOL-5-YL)VINYL…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
T23O-1-E Tryptophan 2,3-dioxygenase (cluster #1 Of 1), Eukaryotic Eukaryotes 2000 0.47 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) 1.84 4.34 -41.35 1 5 -1 69 228.21 2 ↓
Lo Low (pH 4.5-6) 1.84 4.35 -9.76 2 5 0 70 229.218 2 ↓

Analogs

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Popular Name: 3-(6-Fluoro-1H-indol-3-yl)-acrylic acid 3-(6-Fluoro-1H-indol-3-yl)-acryl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
T23O-1-E Tryptophan 2,3-dioxygenase (cluster #1 Of 1), Eukaryotic Eukaryotes 3000 0.52 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) 2.02 5.51 -54.73 1 3 -1 56 204.18 2 ↓
Lo Low (pH 4.5-6) 2.02 4.42 -13.26 2 3 0 53 205.188 2 ↓

Analogs

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Popular Name: 6-fluoro-3-[2-(3-pyridyl)vinyl]-1H-indole 6-fluoro-3-[2-(3-pyridyl)vinyl]-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
T23O-1-E Tryptophan 2,3-dioxygenase (cluster #1 Of 1), Eukaryotic Eukaryotes 1000 0.47 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) 3.19 1.03 -8.78 1 2 0 28 238.265 2 ↓
Lo Low (pH 4.5-6) 3.19 1.14 -38.01 2 2 1 29 239.273 2 ↓

Analogs

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Popular Name: 5-Aminoquinolin-8-ol 5-Aminoquinolin-8-ol

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
I23O1-3-E Indoleamine 2,3-dioxygenase 1 (cluster #3 Of 5), Eukaryotic Eukaryotes 1000 0.70 Binding ≤ 10μM
T23O-1-E Tryptophan 2,3-dioxygenase (cluster #1 Of 1), Eukaryotic Eukaryotes 5000 0.62 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) 1.41 0.04 -9.6 3 3 0 59 160.176 0 ↓
Lo Low (pH 4.5-6) 1.41 0.39 -30.15 4 3 1 60 161.184 0 ↓

Parameters Provided:

annotation.name = T23O_MOUSE
anotation.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 note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'T23O\\_MOUSE' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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