UCSF
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Analogs

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Popular Name: N-(5-tert-butyl-3-cyano-2-methoxy-phenyl)-2-oxo-2-[4-(3-pyridyl)-1-naphthyl]acetamide N-(5-tert-butyl-3-cyano-2-methox…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MK14-1-E MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic Eukaryotes 78 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MK14_HUMAN Q16539 MAP Kinase P38 Alpha, Human 78 0.28 Binding ≤ 1μM
MK14_HUMAN Q16539 MAP Kinase P38 Alpha, Human 78 0.28 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) 5.47 12.42 -9.49 1 6 0 92 463.537 6 ↓
Hi High (pH 8-9.5) 5.66 12.35 -46.72 0 6 -1 98 462.529 6 ↓
Lo Low (pH 4.5-6) 5.47 12.95 -45.6 2 6 1 93 464.545 6 ↓

Analogs

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Popular Name: N-(5-tert-butyl-3-cyano-2-methoxy-phenyl)-2-[4-(6-fluoro-3-pyridyl)-1-naphthyl]-2-oxo-acetamide N-(5-tert-butyl-3-cyano-2-methox…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MK14-1-E MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic Eukaryotes 190 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MK14_HUMAN Q16539 MAP Kinase P38 Alpha, Human 190 0.26 Binding ≤ 1μM
MK14_HUMAN Q16539 MAP Kinase P38 Alpha, Human 190 0.26 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) 5.98 12.35 -10.4 1 6 0 92 481.527 6 ↓
Hi High (pH 8-9.5) 6.16 12.29 -45.87 0 6 -1 98 480.519 6 ↓

Parameters Provided:

ring.id = 188583
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 = 188583 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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