UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

589689
589689
589690
589690

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Popular Name: D4476 D4476

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KC1D-1-E Casein Kinase I Delta (cluster #1 Of 1), Eukaryotic Eukaryotes 300 0.30 Binding ≤ 10μM
KPCD1-1-E Protein Kinase C Mu (cluster #1 Of 3), Eukaryotic Eukaryotes 9100 0.24 Binding ≤ 10μM
MK14-1-E MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic Eukaryotes 5800 0.24 Binding ≤ 10μM
TGFR1-1-E TGF-beta Receptor Type I (cluster #1 Of 1), Eukaryotic Eukaryotes 500 0.29 Binding ≤ 10μM
CSK2A-1-O Casein Kinase II Subunit Alpha (cluster #1 Of 1), Other Other 200 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KC1D_HUMAN P48730 Casein Kinase I Delta, Human 300 0.30 Binding ≤ 1μM
KC1D_RAT Q06486 Casein Kinase I Delta, Rat 300 0.30 Binding ≤ 1μM
CSK2A_SCHPO P40231 Casein Kinase II Subunit Alpha, Schpo 200 0.31 Binding ≤ 1μM
TGFR1_HUMAN P36897 TGF-beta Receptor Type I, Human 500 0.29 Binding ≤ 1μM
KC1D_RAT Q06486 Casein Kinase I Delta, Rat 300 0.30 Binding ≤ 10μM
KC1D_HUMAN P48730 Casein Kinase I Delta, Human 300 0.30 Binding ≤ 10μM
CSK2A_SCHPO P40231 Casein Kinase II Subunit Alpha, Schpo 200 0.31 Binding ≤ 10μM
MK14_HUMAN Q16539 MAP Kinase P38 Alpha, Human 5800 0.24 Binding ≤ 10μM
KPCD1_HUMAN Q15139 Protein Kinase C Mu, Human 9100 0.24 Binding ≤ 10μM
TGFR1_HUMAN P36897 TGF-beta Receptor Type I, Human 500 0.29 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) 2.57 6.69 -16.04 3 7 0 103 398.422 4 ↓
Mid Mid (pH 6-8) 2.57 7.18 -42.22 4 7 1 104 399.43 4 ↓
Lo Low (pH 4.5-6) 2.57 6.91 -39.83 4 7 1 104 399.43 4 ↓

Parameters Provided:

ring.id = 253394
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 = 253394 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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