UCSF
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Analogs

34551223
34551223

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

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MK11-1-E MAP Kinase P38 Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 1000 0.29 Binding ≤ 10μM
MK12-1-E MAP Kinase P38 Gamma (cluster #1 Of 2), Eukaryotic Eukaryotes 1000 0.29 Binding ≤ 10μM
MK13-1-E MAP Kinase P38 Delta (cluster #1 Of 1), Eukaryotic Eukaryotes 1000 0.29 Binding ≤ 10μM
MK14-1-E MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic Eukaryotes 1000 0.29 Binding ≤ 10μM
RAF1-1-E Serine/threonine-protein Kinase RAF (cluster #1 Of 1), Eukaryotic Eukaryotes 2500 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MK14_HUMAN Q16539 MAP Kinase P38 Alpha, Human 1000 0.29 Binding ≤ 1μM
MK11_HUMAN Q15759 MAP Kinase P38 Beta, Human 1000 0.29 Binding ≤ 1μM
MK13_HUMAN O15264 MAP Kinase P38 Delta, Human 1000 0.29 Binding ≤ 1μM
MK12_HUMAN P53778 MAP Kinase P38 Gamma, Human 1000 0.29 Binding ≤ 1μM
MK14_HUMAN Q16539 MAP Kinase P38 Alpha, Human 1000 0.29 Binding ≤ 10μM
MK11_HUMAN Q15759 MAP Kinase P38 Beta, Human 1000 0.29 Binding ≤ 10μM
MK13_HUMAN O15264 MAP Kinase P38 Delta, Human 1000 0.29 Binding ≤ 10μM
MK12_HUMAN P53778 MAP Kinase P38 Gamma, Human 1000 0.29 Binding ≤ 10μM
RAF1_HUMAN P04049 Serine/threonine-protein Kinase RAF, Human 2500 0.27 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) 5.89 13.56 -9.62 1 3 0 42 373.459 4 ↓
Mid Mid (pH 6-8) 5.89 13.85 -33.01 2 3 1 43 374.467 4 ↓
Lo Low (pH 4.5-6) 5.89 13.74 -38.23 2 3 1 43 374.467 4 ↓

Parameters Provided:

ring.id = 228367
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 = 228367 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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