UCSF
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Popular Name: 2-[2,6-dihydroxy-4-[[(1R,2R)-2-[(4-hydroxybenzoyl)amino]cyclopentyl]methoxycarbonyl]benzoyl]-3-hydro 2-[2,6-dihydroxy-4-[[(1R,2R)-2-[…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KPCA-1-E Protein Kinase C Alpha (cluster #1 Of 6), Eukaryotic Eukaryotes 40 0.27 Binding ≤ 10μM
KPCB-1-E Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic Eukaryotes 40 0.27 Binding ≤ 10μM
KPCD-1-E Protein Kinase C Delta (cluster #1 Of 4), Eukaryotic Eukaryotes 20 0.28 Binding ≤ 10μM
KPCE-5-E Protein Kinase C Epsilon (cluster #5 Of 5), Eukaryotic Eukaryotes 340 0.23 Binding ≤ 10μM
KPCG-1-E Protein Kinase C Gamma (cluster #1 Of 4), Eukaryotic Eukaryotes 300 0.23 Binding ≤ 10μM
KPCL-2-E Protein Kinase C Eta (cluster #2 Of 4), Eukaryotic Eukaryotes 20 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KPCA_HUMAN P17252 Protein Kinase C Alpha, Human 40 0.27 Binding ≤ 1μM
KPCB_HUMAN P05771 Protein Kinase C Beta, Human 30 0.27 Binding ≤ 1μM
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 20 0.28 Binding ≤ 1μM
KPCE_HUMAN Q02156 Protein Kinase C Epsilon, Human 340 0.23 Binding ≤ 1μM
KPCL_HUMAN P24723 Protein Kinase C Eta, Human 20 0.28 Binding ≤ 1μM
KPCG_HUMAN P05129 Protein Kinase C Gamma, Human 300 0.23 Binding ≤ 1μM
KPCA_HUMAN P17252 Protein Kinase C Alpha, Human 40 0.27 Binding ≤ 10μM
KPCB_HUMAN P05771 Protein Kinase C Beta, Human 30 0.27 Binding ≤ 10μM
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 20 0.28 Binding ≤ 10μM
KPCE_HUMAN Q02156 Protein Kinase C Epsilon, Human 340 0.23 Binding ≤ 10μM
KPCL_HUMAN P24723 Protein Kinase C Eta, Human 20 0.28 Binding ≤ 10μM
KPCG_HUMAN P05129 Protein Kinase C Gamma, Human 300 0.23 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) 4.47 3.77 -88.44 5 11 -1 194 534.497 9 ↓
Mid Mid (pH 6-8) 4.47 4.82 -164.5 4 11 -2 196 533.489 9 ↓

Parameters Provided:

ring.id = 149052
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 = 149052 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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