UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[5-(2-acetamido-4-pyridyl)-4-(4-fluorophenyl)-2-methylsulfanyl-imidazol-1-yl]-N,N-diethyl-propanam 3-[5-(2-acetamido-4-pyridyl)-4-(…

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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 1200 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MK14_HUMAN Q16539 MAP Kinase P38 Alpha, Human 1200 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) 3.07 12.31 -16.32 1 7 0 80 469.586 9 ↓
Lo Low (pH 4.5-6) 3.07 12.85 -44.12 2 7 1 81 470.594 9 ↓

Analogs

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Popular Name: 4-[3-(3-methylsulfanylpropyl)-5-phenyl-imidazol-4-yl]pyridine 4-[3-(3-methylsulfanylpropyl)-5-…

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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) 2.85 11.66 -10.98 0 3 0 31 309.438 6 ↓
Mid Mid (pH 6-8) 2.85 12.26 -39.72 1 3 1 32 310.446 6 ↓

Analogs

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Popular Name: N,N,2,2-tetramethyl-3-[4-phenyl-5-(4-pyridyl)imidazol-1-yl]propan-1-amine N,N,2,2-tetramethyl-3-[4-phenyl-…

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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) 3.24 12.52 -94.93 2 4 2 36 336.483 6 ↓
Mid Mid (pH 6-8) 3.24 11.77 -44.83 1 4 1 35 335.475 6 ↓

Analogs

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Popular Name: 4-[3-(2-ethylsulfanylethyl)-5-phenyl-imidazol-4-yl]pyridine 4-[3-(2-ethylsulfanylethyl)-5-ph…

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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) 2.95 11.75 -8.14 0 3 0 31 309.438 6 ↓
Mid Mid (pH 6-8) 2.95 12.34 -36.93 1 3 1 32 310.446 6 ↓

Analogs

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Popular Name: 2-fluoro-4-[2-methylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]pyridine 2-fluoro-4-[2-methylsulfanyl-4-[…

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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 1090 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MK14_HUMAN Q16539 MAP Kinase P38 Alpha, Human 1090 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) 4.28 8.42 -7.92 1 3 0 42 353.344 4 ↓
Lo Low (pH 4.5-6) 4.28 8.83 -34.66 2 3 1 43 354.352 4 ↓

Parameters Provided:

ring.id = 366153
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 = 366153 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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