UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2582366
2582366

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Popular Name: 4-[[4-(4-CHLOROPHENYL)-2-THIAZOLYL]AMINO]PHENOL 4-[[4-(4-CHLOROPHENYL)-2-THIAZOL…

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And 13 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TERA-1-E Transitional Endoplasmic Reticulum ATPase (cluster #1 Of 1), Eukaryotic Eukaryotes 70 0.50 Binding ≤ 10μM
Z80682-1-O A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other Other 7800 0.36 Functional ≤ 10μM
Z81247-1-O HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other Other 9100 0.35 Functional ≤ 10μM
Z81252-3-O MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #3 Of 11), Other Other 8200 0.36 Functional ≤ 10μM
Z81280-1-O NCI-H226 (Non-small Cell Lung Carcinoma Cells) (cluster #1 Of 3), Other Other 8600 0.35 Functional ≤ 10μM
Z80253-1-O MEF (Embryonic Fibroblast Cells) (cluster #1 Of 2), Other Other 8900 0.35 ADME/T ≤ 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) 4.86 6.6 -7.31 2 3 0 45 302.786 3 ↓

Analogs

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Popular Name: 4-[[4-(2-naphthyl)thiazol-2-yl]amino]phenol 4-[[4-(2-naphthyl)thiazol-2-yl]a…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TERA-1-E Transitional Endoplasmic Reticulum ATPase (cluster #1 Of 1), Eukaryotic Eukaryotes 1300 0.36 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) 5.36 8.35 -9.4 2 3 0 45 318.401 3 ↓

Analogs

5770125
5770125
5775852
5775852

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Popular Name: (4-aminophenyl)-[4-(4-chlorophenyl)thiazol-2-yl]amine (4-aminophenyl)-[4-(4-chlorophen…

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Vendors

And 6 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TERA-1-E Transitional Endoplasmic Reticulum ATPase (cluster #1 Of 1), Eukaryotic Eukaryotes 80 0.50 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) 4.41 -2.29 -6.66 3 3 0 50 301.802 3 ↓

Analogs

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Popular Name: 4-[[4-(2-thienyl)thiazol-2-yl]amino]phenol 4-[[4-(2-thienyl)thiazol-2-yl]am…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TERA-1-E Transitional Endoplasmic Reticulum ATPase (cluster #1 Of 1), Eukaryotic Eukaryotes 90 0.55 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) 3.96 5.14 -7.72 2 3 0 45 274.37 3 ↓

Analogs

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Popular Name: 4-[[4-(3-nitrophenyl)thiazol-2-yl]amino]phenol 4-[[4-(3-nitrophenyl)thiazol-2-y…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TERA-1-E Transitional Endoplasmic Reticulum ATPase (cluster #1 Of 1), Eukaryotic Eukaryotes 760 0.39 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) 4.11 -1.55 -13.99 2 6 0 90 313.338 4 ↓

Analogs

3657221
3657221

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Popular Name: 4-[[4-(4-methoxyphenyl)thiazol-2-yl]amino]phenol 4-[[4-(4-methoxyphenyl)thiazol-2…

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And 6 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TERA-1-E Transitional Endoplasmic Reticulum ATPase (cluster #1 Of 1), Eukaryotic Eukaryotes 2000 0.38 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) 4.23 5.39 -8.75 2 4 0 54 298.367 4 ↓

Analogs

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Popular Name: [4-(4-chlorophenyl)thiazol-2-yl]-[3-(trifluoromethyl)phenyl]amine [4-(4-chlorophenyl)thiazol-2-yl]…

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And 2 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TERA-1-E Transitional Endoplasmic Reticulum ATPase (cluster #1 Of 1), Eukaryotic Eukaryotes 8300 0.31 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) 6.21 1.95 -7.67 1 2 0 24 354.784 4 ↓

Analogs

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Popular Name: 4-[[4-(3-pyridyl)thiazol-2-yl]amino]phenol 4-[[4-(3-pyridyl)thiazol-2-yl]am…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TERA-1-E Transitional Endoplasmic Reticulum ATPase (cluster #1 Of 1), Eukaryotic Eukaryotes 300 0.48 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) 3.11 4.29 -8.55 2 4 0 58 269.329 3 ↓

Analogs

3657221
3657221

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Popular Name: 4-[(4-phenylthiazol-2-yl)amino]phenol 4-[(4-phenylthiazol-2-yl)amino]p…

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Vendors

And 7 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TERA-1-E Transitional Endoplasmic Reticulum ATPase (cluster #1 Of 1), Eukaryotic Eukaryotes 520 0.46 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) 4.18 -2.07 -8.14 2 3 0 45 268.341 3 ↓

Analogs

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Popular Name: 4-[[4-(4-pyridyl)thiazol-2-yl]amino]phenol 4-[[4-(4-pyridyl)thiazol-2-yl]am…

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TERA-1-E Transitional Endoplasmic Reticulum ATPase (cluster #1 Of 1), Eukaryotic Eukaryotes 290 0.48 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) 2.89 -2.87 -9.1 2 4 0 58 269.329 3 ↓

Analogs

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Popular Name: 4-[[4-(2-pyridyl)thiazol-2-yl]amino]phenol 4-[[4-(2-pyridyl)thiazol-2-yl]am…

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TERA-1-E Transitional Endoplasmic Reticulum ATPase (cluster #1 Of 1), Eukaryotic Eukaryotes 230 0.49 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) 3.03 -2.91 -8.98 2 4 0 58 269.329 3 ↓

Parameters Provided:

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

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