UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

22054861
22054861

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Popular Name: 4-(4-Chlorophenyl)-1-(1H-imidazol-1-yl)butan-2-ol 4-(4-Chlorophenyl)-1-(1H-imidazo…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HMOX1-1-E Heme Oxygenase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 500 0.52 Binding ≤ 10μM
HMOX2-1-E Heme Oxygenase 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 4000 0.44 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) 2.35 7.15 -8.15 1 3 0 38 250.729 5 ↓
Mid Mid (pH 6-8) 2.35 7.63 -37.75 2 3 1 39 251.737 5 ↓

Analogs

22054857
22054857

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Popular Name: 4-(4-Chlorophenyl)-1-(1H-imidazol-1-yl)butan-2-ol 4-(4-Chlorophenyl)-1-(1H-imidazo…

Find On: PubMed — Wikipedia — Google

Vendors

And 6 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HMOX1-1-E Heme Oxygenase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 500 0.52 Binding ≤ 10μM
HMOX2-1-E Heme Oxygenase 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 4000 0.44 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) 2.35 7.15 -8.16 1 3 0 38 250.729 5 ↓
Mid Mid (pH 6-8) 2.35 7.63 -37.75 2 3 1 39 251.737 5 ↓

Analogs

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Popular Name: stat stat

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
C11B1-1-E Cytochrome P450 11B1 (cluster #1 Of 2), Eukaryotic Eukaryotes 35 0.36 Binding ≤ 10μM
CP17A-1-E Cytochrome P450 17A1 (cluster #1 Of 2), Eukaryotic Eukaryotes 447 0.31 Binding ≤ 10μM
CP19A-1-E Cytochrome P450 19A1 (cluster #1 Of 3), Eukaryotic Eukaryotes 8 0.39 Binding ≤ 10μM
HMOX1-1-E Heme Oxygenase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 6000 0.25 Binding ≤ 10μM
CP3A4-3-E Cytochrome P450 3A4 (cluster #3 Of 4), Eukaryotic Eukaryotes 28 0.36 ADME/T ≤ 10μM
Z50425-1-O Plasmodium Falciparum (cluster #1 Of 22), Other Other 800 0.29 Functional ≤ 10μM
Z50587-1-O Homo Sapiens (cluster #1 Of 9), Other Other 0 0.00 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) 3.99 -2.03 -8.27 2 5 0 62 429.973 8 ↓

Parameters Provided:

target.name = HMOX1-1-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 'HMOX1-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?target.name=HMOX1-1-E&target.type=B10&filter.purchasability=purchasable

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