UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

27325923
27325923
27331881
27331881
3924533
3924533

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Popular Name: [[(2S)-2-hydroxyhexyl]-methyl-amino]-methoxy-methyl-BLAHone [[(2S)-2-hydroxyhexyl]-methyl-am…

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
EGFR-1-E Epidermal Growth Factor Receptor ErbB1 (cluster #1 Of 4), Eukaryotic Eukaryotes 1300 0.20 Binding ≤ 10μM
KAPCA-1-E CAMP-dependent Protein Kinase Alpha-catalytic Subunit (cluster #1 Of 4), Eukaryotic Eukaryotes 360 0.21 Binding ≤ 10μM
KAPCB-1-E CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit (cluster #1 Of 3), Eukaryotic Eukaryotes 360 0.21 Binding ≤ 10μM
KAPCG-1-E CAMP-dependent Protein Kinase, Gamma Catalytic Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 360 0.21 Binding ≤ 10μM
KPCA-1-E Protein Kinase C Alpha (cluster #1 Of 6), Eukaryotic Eukaryotes 140 0.23 Binding ≤ 10μM
KPCB-1-E Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic Eukaryotes 140 0.23 Binding ≤ 10μM
KPCD-1-E Protein Kinase C Delta (cluster #1 Of 4), Eukaryotic Eukaryotes 140 0.23 Binding ≤ 10μM
KPCD1-2-E Protein Kinase C Mu (cluster #2 Of 3), Eukaryotic Eukaryotes 140 0.23 Binding ≤ 10μM
KPCD3-2-E Protein Kinase C Nu (cluster #2 Of 3), Eukaryotic Eukaryotes 140 0.23 Binding ≤ 10μM
KPCE-1-E Protein Kinase C Epsilon (cluster #1 Of 5), Eukaryotic Eukaryotes 140 0.23 Binding ≤ 10μM
KPCG-1-E Protein Kinase C Gamma (cluster #1 Of 4), Eukaryotic Eukaryotes 140 0.23 Binding ≤ 10μM
KPCI-2-E Protein Kinase C Iota (cluster #2 Of 3), Eukaryotic Eukaryotes 140 0.23 Binding ≤ 10μM
KPCL-2-E Protein Kinase C Eta (cluster #2 Of 4), Eukaryotic Eukaryotes 140 0.23 Binding ≤ 10μM
KPCT-1-E Protein Kinase C Theta (cluster #1 Of 3), Eukaryotic Eukaryotes 140 0.23 Binding ≤ 10μM
KPCZ-1-E Protein Kinase C Zeta (cluster #1 Of 5), Eukaryotic Eukaryotes 140 0.23 Binding ≤ 10μM
PHKG1-1-E Phosphorylase Kinase Gamma Subunit 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 50 0.24 Binding ≤ 10μM
PHKG2-1-E Phosphorylase Kinase Gamma Subunit 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 50 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KAPCA_HUMAN P17612 CAMP-dependent Protein Kinase Alpha-catalytic Subunit, Human 360 0.21 Binding ≤ 1μM
KAPCB_HUMAN P22694 CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit, Human 360 0.21 Binding ≤ 1μM
KAPCG_HUMAN P22612 CAMP-dependent Protein Kinase, Gamma Catalytic Subunit, Human 360 0.21 Binding ≤ 1μM
PHKG1_HUMAN Q16816 Phosphorylase Kinase Gamma Subunit 1, Human 50 0.24 Binding ≤ 1μM
PHKG2_HUMAN P15735 Phosphorylase Kinase Gamma Subunit 2, Human 50 0.24 Binding ≤ 1μM
KPCA_HUMAN P17252 Protein Kinase C Alpha, Human 140 0.23 Binding ≤ 1μM
KPCB_HUMAN P05771 Protein Kinase C Beta, Human 140 0.23 Binding ≤ 1μM
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 140 0.23 Binding ≤ 1μM
KPCE_HUMAN Q02156 Protein Kinase C Epsilon, Human 140 0.23 Binding ≤ 1μM
KPCL_HUMAN P24723 Protein Kinase C Eta, Human 140 0.23 Binding ≤ 1μM
KPCG_HUMAN P05129 Protein Kinase C Gamma, Human 140 0.23 Binding ≤ 1μM
KPCI_HUMAN P41743 Protein Kinase C Iota, Human 140 0.23 Binding ≤ 1μM
KPCD1_HUMAN Q15139 Protein Kinase C Mu, Human 140 0.23 Binding ≤ 1μM
KPCD3_HUMAN O94806 Protein Kinase C Nu, Human 140 0.23 Binding ≤ 1μM
KPCT_HUMAN Q04759 Protein Kinase C Theta, Human 140 0.23 Binding ≤ 1μM
KPCZ_HUMAN Q05513 Protein Kinase C Zeta, Human 140 0.23 Binding ≤ 1μM
KAPCA_HUMAN P17612 CAMP-dependent Protein Kinase Alpha-catalytic Subunit, Human 360 0.21 Binding ≤ 10μM
KAPCB_HUMAN P22694 CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit, Human 360 0.21 Binding ≤ 10μM
KAPCG_HUMAN P22612 CAMP-dependent Protein Kinase, Gamma Catalytic Subunit, Human 360 0.21 Binding ≤ 10μM
EGFR_HUMAN P00533 Epidermal Growth Factor Receptor ErbB1, Human 1300 0.20 Binding ≤ 10μM
PHKG1_HUMAN Q16816 Phosphorylase Kinase Gamma Subunit 1, Human 50 0.24 Binding ≤ 10μM
PHKG2_HUMAN P15735 Phosphorylase Kinase Gamma Subunit 2, Human 50 0.24 Binding ≤ 10μM
KPCA_HUMAN P17252 Protein Kinase C Alpha, Human 140 0.23 Binding ≤ 10μM
KPCB_HUMAN P05771 Protein Kinase C Beta, Human 140 0.23 Binding ≤ 10μM
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 140 0.23 Binding ≤ 10μM
KPCE_HUMAN Q02156 Protein Kinase C Epsilon, Human 140 0.23 Binding ≤ 10μM
KPCL_HUMAN P24723 Protein Kinase C Eta, Human 140 0.23 Binding ≤ 10μM
KPCG_HUMAN P05129 Protein Kinase C Gamma, Human 140 0.23 Binding ≤ 10μM
KPCI_HUMAN P41743 Protein Kinase C Iota, Human 140 0.23 Binding ≤ 10μM
KPCD1_HUMAN Q15139 Protein Kinase C Mu, Human 140 0.23 Binding ≤ 10μM
KPCD3_HUMAN O94806 Protein Kinase C Nu, Human 140 0.23 Binding ≤ 10μM
KPCT_HUMAN Q04759 Protein Kinase C Theta, Human 140 0.23 Binding ≤ 10μM
KPCZ_HUMAN Q05513 Protein Kinase C Zeta, Human 140 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) 5.43 10.64 -40.22 3 8 1 82 567.71 7 ↓

Parameters Provided:

ring.id = 234507
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 = 234507 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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