UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Amino-5-pyridin-4-yl-4H-1,2,4-triazole-3-thiol 4-Amino-5-pyridin-4-yl-4H-1,2,4-…

Find On: PubMed — Wikipedia — Google

Vendors

And 38 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TYRO-8-F Tyrosinase (cluster #8 Of 8), Fungal Fungi 1010 0.65 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) 0.39 3.39 -43.89 2 5 -1 70 192.227 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)phenol 4-(4-amino-5-mercapto-4H-1,2,4-t…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TYRO-8-F Tyrosinase (cluster #8 Of 8), Fungal Fungi 2400 0.56 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) 0.47 2.29 -10.13 4 5 0 80 208.246 1 ↓
Mid Mid (pH 6-8) 1.00 3.43 -40.93 3 5 -1 77 207.238 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-Benzenediol, 4-(2-benzothiazolyl)-; 2-(2',4'-Dihydroxyphenyl)benzothiazole; 4-(2-Benzothiazolyl)-1,3-benzenediol; BRN 0214134; LS-29931 1,3-Benzenediol, 4-(2-benzothiaz…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TYRO-8-F Tyrosinase (cluster #8 Of 8), Fungal Fungi 7700 0.42 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) 3.52 2.29 -9.77 2 3 0 53 243.287 1 ↓
Hi High (pH 8-9.5) 3.52 3.06 -45.66 1 3 -1 56 242.279 1 ↓

Analogs

34219116
34219116
39343608
39343608

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,3-benzothiazol-2-yl)phenol 4-(1,3-benzothiazol-2-yl)phenol

Find On: PubMed — Wikipedia — Google

Vendors

And 17 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TYRO-8-F Tyrosinase (cluster #8 Of 8), Fungal Fungi 567 0.55 Binding ≤ 10μM
Z80244-2-O MDA-MB-468 (Breast Adenocarcinoma) (cluster #2 Of 7), Other Other 400 0.56 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) 3.81 4.95 -8.57 1 2 0 33 227.288 1 ↓

Parameters Provided:

target.name = TYRO-8-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-8-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-8-F&target.type=B10&filter.purchasability=purchasable

Embed Link to Results