UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: Tropolone Tropolone

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TYRO-3-F Tyrosinase (cluster #3 Of 8), Fungal Fungi 400 1.00 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) 0.59 2.97 -55.32 0 2 -1 40 121.115 0 ↓
Mid Mid (pH 6-8) 0.59 2.96 -8.86 1 2 0 37 122.123 0 ↓

Analogs

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Popular Name: DNC014525 DNC014525

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TYRO-3-F Tyrosinase (cluster #3 Of 8), Fungal Fungi 9530 0.59 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) 1.58 4.86 -8.7 1 2 0 37 164.204 1 ↓
Mid Mid (pH 6-8) 2.27 5.56 -47.62 0 2 -1 40 163.196 1 ↓
Mid Mid (pH 6-8) 1.58 5.66 -49.54 0 2 -1 40 163.196 1 ↓

Analogs

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Popular Name: 2-hydroxy-5-isopropyl-2,4,6-cycloheptatrien-1-one 2-hydroxy-5-isopropyl-2,4,6-cycl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TYRO-3-F Tyrosinase (cluster #3 Of 8), Fungal Fungi 70 0.83 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) 2.10 0.79 -11.15 1 2 0 37 164.204 1 ↓

Analogs

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Popular Name: 3-hydroxy-2-methyl-4H-pyran-4-thione 3-hydroxy-2-methyl-4H-pyran-4-th…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TYRO-3-F Tyrosinase (cluster #3 Of 8), Fungal Fungi 3800 0.84 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) 0.78 1.81 -23.84 1 2 0 33 142.179 0 ↓

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

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Popular Name: Hinokitiol Hinokitiol

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TYRO-3-F Tyrosinase (cluster #3 Of 8), Fungal Fungi 90 0.82 Binding ≤ 10μM
Z80136-5-O FM3A (Breast Carcinoma Cells) (cluster #5 Of 6), Other Other 1100 0.70 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) 2.08 5.55 -50.43 0 2 -1 40 163.196 1 ↓
Mid Mid (pH 6-8) 2.08 4.65 -14.09 1 2 0 37 164.204 1 ↓
Mid Mid (pH 6-8) 2.08 5.56 -50.71 0 2 -1 40 163.196 1 ↓

Analogs

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Popular Name: Hydroquinone Hydroquinone

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CAH12-9-E Carbonic Anhydrase XII (cluster #9 Of 9), Eukaryotic Eukaryotes 7800 0.89 Binding ≤ 10μM
CAH2-5-E Carbonic Anhydrase II (cluster #5 Of 15), Eukaryotic Eukaryotes 90 1.23 Binding ≤ 10μM
CAH3-1-E Carbonic Anhydrase III (cluster #1 Of 6), Eukaryotic Eukaryotes 8200 0.89 Binding ≤ 10μM
Q2PCB5-2-E Carbonic Anhydrase (cluster #2 Of 2), Eukaryotic Eukaryotes 5930 0.91 Binding ≤ 10μM
TYRO-3-F Tyrosinase (cluster #3 Of 8), Fungal Fungi 9810 0.88 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) 0.98 -1.23 -4.89 2 2 0 40 110.112 0 ↓

Parameters Provided:

target.name = TYRO-3-F
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 'TYRO-3-F' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=TYRO-3-F&target.type=B10&filter.purchasability=purchasable

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