UCSF
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Analogs

588635
588635

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2,5-diphenyl-3H-imidazol-4-yl)-N-methyl-pyrimidin-2-amine 4-(2,5-diphenyl-3H-imidazol-4-yl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MK09-1-E C-Jun N-terminal Kinase 2 (cluster #1 Of 3), Eukaryotic Eukaryotes 175 0.38 Binding ≤ 10μM
MK11-1-E MAP Kinase P38 Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 120 0.39 Binding ≤ 10μM
MK12-1-E MAP Kinase P38 Gamma (cluster #1 Of 2), Eukaryotic Eukaryotes 120 0.39 Binding ≤ 10μM
MK13-1-E MAP Kinase P38 Delta (cluster #1 Of 1), Eukaryotic Eukaryotes 120 0.39 Binding ≤ 10μM
MK14-1-E MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic Eukaryotes 120 0.39 Binding ≤ 10μM
RAF1-1-E Serine/threonine-protein Kinase RAF (cluster #1 Of 1), Eukaryotic Eukaryotes 2100 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MK09_HUMAN P45984 C-Jun N-terminal Kinase 2, Human 175 0.38 Binding ≤ 1μM
MK14_HUMAN Q16539 MAP Kinase P38 Alpha, Human 120 0.39 Binding ≤ 1μM
MK11_HUMAN Q15759 MAP Kinase P38 Beta, Human 120 0.39 Binding ≤ 1μM
MK13_HUMAN O15264 MAP Kinase P38 Delta, Human 120 0.39 Binding ≤ 1μM
MK12_HUMAN P53778 MAP Kinase P38 Gamma, Human 120 0.39 Binding ≤ 1μM
MK09_HUMAN P45984 C-Jun N-terminal Kinase 2, Human 175 0.38 Binding ≤ 10μM
MK14_HUMAN Q16539 MAP Kinase P38 Alpha, Human 120 0.39 Binding ≤ 10μM
MK11_HUMAN Q15759 MAP Kinase P38 Beta, Human 120 0.39 Binding ≤ 10μM
MK13_HUMAN O15264 MAP Kinase P38 Delta, Human 120 0.39 Binding ≤ 10μM
MK12_HUMAN P53778 MAP Kinase P38 Gamma, Human 120 0.39 Binding ≤ 10μM
RAF1_HUMAN P04049 Serine/threonine-protein Kinase RAF, Human 2100 0.32 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) 3.94 11.09 -12.04 2 5 0 66 327.391 4 ↓
Mid Mid (pH 6-8) 3.94 11.49 -31.06 3 5 1 68 328.399 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2,5-diphenyl-3H-imidazol-4-yl)pyrimidin-2-amine 4-(2,5-diphenyl-3H-imidazol-4-yl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MK09-1-E C-Jun N-terminal Kinase 2 (cluster #1 Of 3), Eukaryotic Eukaryotes 180 0.39 Binding ≤ 10μM
MK11-1-E MAP Kinase P38 Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 57 0.42 Binding ≤ 10μM
MK12-1-E MAP Kinase P38 Gamma (cluster #1 Of 2), Eukaryotic Eukaryotes 57 0.42 Binding ≤ 10μM
MK13-1-E MAP Kinase P38 Delta (cluster #1 Of 1), Eukaryotic Eukaryotes 57 0.42 Binding ≤ 10μM
MK14-1-E MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic Eukaryotes 57 0.42 Binding ≤ 10μM
RAF1-1-E Serine/threonine-protein Kinase RAF (cluster #1 Of 1), Eukaryotic Eukaryotes 750 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MK09_HUMAN P45984 C-Jun N-terminal Kinase 2, Human 180 0.39 Binding ≤ 1μM
MK14_HUMAN Q16539 MAP Kinase P38 Alpha, Human 57 0.42 Binding ≤ 1μM
MK11_HUMAN Q15759 MAP Kinase P38 Beta, Human 57 0.42 Binding ≤ 1μM
MK13_HUMAN O15264 MAP Kinase P38 Delta, Human 57 0.42 Binding ≤ 1μM
MK12_HUMAN P53778 MAP Kinase P38 Gamma, Human 57 0.42 Binding ≤ 1μM
RAF1_HUMAN P04049 Serine/threonine-protein Kinase RAF, Human 750 0.36 Binding ≤ 1μM
MK09_HUMAN P45984 C-Jun N-terminal Kinase 2, Human 180 0.39 Binding ≤ 10μM
MK14_HUMAN Q16539 MAP Kinase P38 Alpha, Human 57 0.42 Binding ≤ 10μM
MK11_HUMAN Q15759 MAP Kinase P38 Beta, Human 57 0.42 Binding ≤ 10μM
MK13_HUMAN O15264 MAP Kinase P38 Delta, Human 57 0.42 Binding ≤ 10μM
MK12_HUMAN P53778 MAP Kinase P38 Gamma, Human 57 0.42 Binding ≤ 10μM
RAF1_HUMAN P04049 Serine/threonine-protein Kinase RAF, Human 750 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) 3.14 9.98 -11.87 3 5 0 80 313.364 3 ↓
Mid Mid (pH 6-8) 3.14 10.38 -31.11 4 5 1 82 314.372 3 ↓

Parameters Provided:

ring.id = 228368
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 = 228368 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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