UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: Phenylthiourea Phenylthiourea

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TYRO-2-E Tyrosinase (cluster #2 Of 2), Eukaryotic Eukaryotes 1800 0.80 Binding ≤ 10μM
TYRO-4-F Tyrosinase (cluster #4 Of 8), Fungal Fungi 1800 0.80 Binding ≤ 10μM
Z80035-2-O B16 (Melanoma Cells) (cluster #2 Of 7), Other Other 5400 0.74 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) 0.98 3.39 -12.4 3 2 0 38 152.222 2 ↓

Analogs

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Popular Name: Kojic acid Kojic acid

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TYRO-1-E Tyrosinase (cluster #1 Of 2), Eukaryotic Eukaryotes 7400 0.72 Binding ≤ 10μM
TYRO-3-F Tyrosinase (cluster #3 Of 8), Fungal Fungi 9500 0.70 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) -0.89 -2.21 -17.01 2 4 0 71 142.11 1 ↓
Hi High (pH 8-9.5) -1.32 -0.27 -40.71 0 4 -1 66 141.102 1 ↓
Mid Mid (pH 6-8) -0.89 -1.34 -55.04 1 4 -1 73 141.102 1 ↓

Analogs

12956522
12956522

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Popular Name: 2-hydroxy-4-isopropyl-benzaldehyde 2-hydroxy-4-isopropyl-benzaldehyde

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TYRO-1-E Tyrosinase (cluster #1 Of 2), Eukaryotic Eukaryotes 2300 0.66 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) 3.16 4.72 -8.03 1 2 0 37 164.204 2 ↓

Parameters Provided:

annotation.name = TYRO_HUMAN
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 'TYRO\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?annotation.name=TYRO_HUMAN&filter.purchasability=purchasable

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