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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(2,3-dihydro-1H-indol-1-yl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-ethanone 1-(2,3-dihydro-1H-indol-1-yl)-2-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DHI1-3-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #3 Of 3), Eukaryotic Eukaryotes 58 0.33 Binding ≤ 10μM
DHI2-2-E 11-beta-hydroxysteroid Dehydrogenase 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 8900 0.23 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) 5.00 12.68 -11.86 0 5 0 59 424.529 5 ↓

Analogs

4144495
4144495
4144740
4144740
4185997
4185997

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Popular Name: 4-[4-(benzyloxy)phenyl]-3-[(2-chloro-6-fluorobenzyl)sulfanyl]-5-(2-furyl)-4H-1,2,4-triazole 4-[4-(benzyloxy)phenyl]-3-[(2-ch…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DHI1-3-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #3 Of 3), Eukaryotic Eukaryotes 45 0.30 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) 6.90 3.45 -13.85 0 5 0 53 491.975 8 ↓

Analogs

11638017
11638017

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Popular Name: DNC007849 DNC007849

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DHI1-3-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #3 Of 3), Eukaryotic Eukaryotes 350 0.60 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) 2.41 5.13 -34.74 0 3 -1 44 239.707 2 ↓
Mid Mid (pH 6-8) 2.41 5.8 -8.85 1 3 0 41 240.715 2 ↓

Analogs

11638016
11638016

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Popular Name: DNC007849 DNC007849

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DHI1-3-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #3 Of 3), Eukaryotic Eukaryotes 350 0.60 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) 2.41 5.13 -34.73 0 3 -1 44 239.707 2 ↓
Lo Low (pH 4.5-6) 2.41 5.82 -7.6 1 3 0 41 240.715 2 ↓

Analogs

654672
654672

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Popular Name: (2S)-2-[[4-allyl-5-(anilinomethyl)-1,2,4-triazol-3-yl]thio]-N-[(E)-(5-bromo-2-hydroxy-benzylidene)am (2S)-2-[[4-allyl-5-(anilinomethy…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DHI1-3-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #3 Of 3), Eukaryotic Eukaryotes 2250 0.25 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) 4.55 -3.7 -14.12 3 8 0 104 515.437 10 ↓

Analogs

654669
654669

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Popular Name: (2R)-2-[[4-allyl-5-(anilinomethyl)-1,2,4-triazol-3-yl]thio]-N-[(E)-(5-bromo-2-hydroxy-benzylidene)am (2R)-2-[[4-allyl-5-(anilinomethy…

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And 4 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DHI1-3-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #3 Of 3), Eukaryotic Eukaryotes 2250 0.25 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) 4.55 9.22 -14.59 3 8 0 104 515.437 10 ↓

Analogs

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Popular Name: N-(3-chloro-4-hydroxy-1-naphthyl)-2,4-dimethylbenzenesulfonamide N-(3-chloro-4-hydroxy-1-naphthyl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DHI1-3-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #3 Of 3), Eukaryotic Eukaryotes 4000 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) 5.03 5.98 -11.53 2 4 0 66 361.85 3 ↓
Mid Mid (pH 6-8) 5.03 6.74 -47.27 1 4 -1 69 360.842 3 ↓

Analogs

21813995
21813995

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Popular Name: N-(6-methyl-2-pyridyl)naphthalene-2-sulfonamide N-(6-methyl-2-pyridyl)naphthalen…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DHI1-3-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #3 Of 3), Eukaryotic Eukaryotes 84 0.47 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) 3.22 7.08 -17.52 1 4 0 62 298.367 2 ↓
Mid Mid (pH 6-8) 3.04 6.64 -53.78 0 4 -1 61 297.359 3 ↓

Analogs

11638029
11638029

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Popular Name: DNC008917 DNC008917

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DHI1-3-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #3 Of 3), Eukaryotic Eukaryotes 189 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) 2.68 6.18 -5.65 1 3 0 41 234.324 2 ↓
Mid Mid (pH 6-8) 2.68 6.25 -36.71 0 3 -1 44 233.316 3 ↓
Lo Low (pH 4.5-6) 2.68 6.58 -10.5 1 3 0 41 234.324 3 ↓

Analogs

11638028
11638028

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Popular Name: DNC008917 DNC008917

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DHI1-3-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #3 Of 3), Eukaryotic Eukaryotes 189 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) 2.68 6.18 -5.61 1 3 0 41 234.324 2 ↓
Mid Mid (pH 6-8) 2.68 6.23 -36.79 0 3 -1 44 233.316 3 ↓
Lo Low (pH 4.5-6) 2.68 6.59 -10.51 1 3 0 41 234.324 3 ↓

Parameters Provided:

target.name = DHI1-3-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 'DHI1-3-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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