UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1H-benzimidazol-2-yl)pyrazole-4-carboxylic 1-(1H-benzimidazol-2-yl)pyrazole…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
EGLN1-1-E Egl Nine Homolog 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 1000 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) 1.40 7.48 -48.57 1 6 -1 87 227.203 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Pyridine-2,4-dicarboxylic acid Pyridine-2,4-dicarboxylic acid

Find On: PubMed — Wikipedia — Google

Vendors

And 41 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
EGLN1-1-E Egl Nine Homolog 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 7000 0.60 Binding ≤ 10μM
EGLN2-1-E Hypoxia-inducible Factor Prolyl Hydroxylase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 7000 0.60 Binding ≤ 10μM
EGLN3-1-E Egl Nine Homolog 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 7000 0.60 Binding ≤ 10μM
KDM4A-2-E Lysine-specific Demethylase 4A (cluster #2 Of 2), Eukaryotic Eukaryotes 700 0.72 Binding ≤ 10μM
KDM4C-2-E Lysine-specific Demethylase 4C (cluster #2 Of 2), Eukaryotic Eukaryotes 9400 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) 0.59 3.86 -104.44 0 5 -2 93 165.104 2 ↓
Hi High (pH 8-9.5) 0.23 6.89 -24.83 2 12 0 133 482.925 8 ↓
Lo Low (pH 4.5-6) 0.59 4.26 -63.76 1 5 -1 94 166.112 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: glycine, N-(3H-imidazo[4,5-c]pyridin-4-ylcarbonyl)- glycine, N-(3H-imidazo[4,5-c]pyr…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
EGLN1-1-E Egl Nine Homolog 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 2820 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) -1.90 1.74 -57.56 2 7 -1 111 219.18 3 ↓
Mid Mid (pH 6-8) -1.90 1.23 -93.54 1 7 -2 109 218.172 3 ↓
Mid Mid (pH 6-8) -1.90 -0.26 -11.85 3 7 0 108 220.188 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-((2-((4-(tert-Butyl)benzyl)sulfonyl)acetyl)imino)-3-hydroxy-2,3-dihydrothiazol-4-yl)acetic acid 2-(2-((2-((4-(tert-Butyl)benzyl)…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
EGLN1-1-E Egl Nine Homolog 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 3 0.43 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) 3.21 6.15 -130.6 0 8 -2 132 424.5 7 ↓

Parameters Provided:

target.name = EGLN1-1-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 'EGLN1-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=EGLN1-1-E&target.type=B10&filter.purchasability=purchasable

Embed Link to Results