UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[4-methoxy-2-(2-methylpropanoylamino)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide N-[4-methoxy-2-(2-methylpropanoy…

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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) 2.60 6.24 -18.69 2 7 0 85 352.394 5 ↓

Analogs

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Popular Name: N-[4-(3-methylbutanoylamino)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide N-[4-(3-methylbutanoylamino)phen…

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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) 3.15 7.34 -17.22 2 6 0 76 336.395 5 ↓

Analogs

5035603
5035603
5035615
5035615

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Popular Name: N-(2-cyanophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide N-(2-cyanophenyl)pyrazolo[1,5-a]…

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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) 2.02 6.71 -12.93 1 5 0 70 262.272 2 ↓

Analogs

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Popular Name: N-(2-chlorophenyl)-5-(dimethylamino)pyrazolo[1,5-a]pyridine-3-carboxamide N-(2-chlorophenyl)-5-(dimethylam…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
EPHB3-1-E Ephrin Type-B Receptor 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 77 0.45 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
EPHB3_HUMAN P54753 Ephrin Type-B Receptor 3, Human 77 0.45 Binding ≤ 1μM
EPHB3_HUMAN P54753 Ephrin Type-B Receptor 3, Human 77 0.45 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) 3.00 7.29 -13.16 1 5 0 50 314.776 3 ↓

Parameters Provided:

ring.id = 404297
filter.purchasability = annotated
page.format = targets
page.num = 1

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 hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 404297 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=404297&filter.purchasability=annotated

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