UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [(E)-(4-bromo-2-fluoro-phenyl)methyleneamino]thiourea [(E)-(4-bromo-2-fluoro-phenyl)me…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50643-4-O Hepatitis C Virus (cluster #4 Of 5), Other Other 280 0.66 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) 2.78 5.22 -12.31 3 3 0 50 276.134 3 ↓

Analogs

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Popular Name: [(E)-[4-(trifluoromethoxy)phenyl]methyleneamino]thiourea [(E)-[4-(trifluoromethoxy)phenyl…

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50643-4-O Hepatitis C Virus (cluster #4 Of 5), Other Other 80 0.58 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) 2.85 4.26 -12.5 3 4 0 60 263.244 5 ↓

Analogs

3896833
3896833

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Popular Name: N-[(4-dimethylaminophenyl)methyleneamino]-4-(4-fluorophenyl)thiazol-2-amine N-[(4-dimethylaminophenyl)methyl…

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50643-4-O Hepatitis C Virus (cluster #4 Of 5), Other Other 6320 0.30 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) 5.15 10.48 -10.04 1 4 0 44 340.427 4 ↓

Analogs

12410154
12410154

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Popular Name: 2-{[4-(dimethylamino)phenyl]methylene}-1-hydrazinecarbothioamide 2-{[4-(dimethylamino)phenyl]meth…

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Vendors

And 25 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50643-4-O Hepatitis C Virus (cluster #4 Of 5), Other Other 1710 0.54 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) 1.99 4.89 -11.53 3 4 0 54 222.317 4 ↓

Parameters Provided:

target.name = Z50643-4-O
target.type = F10
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 'Z50643-4-O' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?target.name=Z50643-4-O&target.type=F10&filter.purchasability=purchasable

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