UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-[(4-ethoxyphenyl)carbamoyl]pyridine-2-carboxylic 5-[(4-ethoxyphenyl)carbamoyl]pyr…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
P4HTM-1-E Hypoxia-inducible Factor Prolyl 4-hydroxylase (cluster #1 Of 1), Eukaryotic Eukaryotes 5000 0.35 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) 1.67 -0.93 -52.27 1 6 -1 91 285.279 5 ↓

Analogs

3651016
3651016

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Popular Name: 2,2'-Bipyridine-5,5'-dicarboxylic acid 2,2'-Bipyridine-5,5'-dicarboxyli…

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And 30 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
P4HTM-1-E Hypoxia-inducible Factor Prolyl 4-hydroxylase (cluster #1 Of 1), Eukaryotic Eukaryotes 190 0.52 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) 0.60 4.08 -90.11 0 6 -2 106 242.19 3 ↓

Analogs

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Popular Name: 5-[(4-dimethylaminophenyl)carbamoyl]pyridine-2-carboxylic 5-[(4-dimethylaminophenyl)carbam…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
P4HTM-1-E Hypoxia-inducible Factor Prolyl 4-hydroxylase (cluster #1 Of 1), Eukaryotic Eukaryotes 4100 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) 1.34 4.73 -52.76 1 6 -1 85 284.295 4 ↓

Analogs

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Popular Name: 5-(p-tolylcarbamoyl)pyridine-2-carboxylic 5-(p-tolylcarbamoyl)pyridine-2-c…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
P4HTM-1-E Hypoxia-inducible Factor Prolyl 4-hydroxylase (cluster #1 Of 1), Eukaryotic Eukaryotes 8300 0.37 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) 1.68 4.99 -51.27 1 5 -1 82 255.253 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-Pyridinedicarboxylic acid 2,5-Pyridinedicarboxylic acid

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Vendors

And 42 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
P4HA1-1-E Prolyl 4-hydroxylase Alpha-1 Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 800 0.71 Binding ≤ 10μM
P4HTM-1-E Hypoxia-inducible Factor Prolyl 4-hydroxylase (cluster #1 Of 1), Eukaryotic Eukaryotes 5500 0.61 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) -0.08 1.94 -97.16 0 5 -2 93 165.104 2 ↓

Parameters Provided:

annotation.name = P4HTM_HUMAN
anotation.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 note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'P4HTM\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?annotation.name=P4HTM_HUMAN&filter.purchasability=purchasable

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