UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-[(11S)-12-oxo-2,10-dioxa-13-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-11-yl]hexanehydroxamic 6-[(11S)-12-oxo-2,10-dioxa-13-az…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HDA10-1-E Histone Deacetylase 10 (cluster #1 Of 3), Eukaryotic Eukaryotes 958 0.30 Binding ≤ 10μM
HDA11-2-E Histone Deacetylase 11 (cluster #2 Of 3), Eukaryotic Eukaryotes 546 0.31 Binding ≤ 10μM
HDAC1-1-E Histone Deacetylase 1 (cluster #1 Of 4), Eukaryotic Eukaryotes 439 0.32 Binding ≤ 10μM
HDAC2-3-E Histone Deacetylase 2 (cluster #3 Of 4), Eukaryotic Eukaryotes 1540 0.29 Binding ≤ 10μM
HDAC3-1-E Histone Deacetylase 3 (cluster #1 Of 3), Eukaryotic Eukaryotes 240 0.33 Binding ≤ 10μM
HDAC4-1-E Histone Deacetylase 4 (cluster #1 Of 3), Eukaryotic Eukaryotes 1250 0.30 Binding ≤ 10μM
HDAC5-1-E Histone Deacetylase 5 (cluster #1 Of 3), Eukaryotic Eukaryotes 695 0.31 Binding ≤ 10μM
HDAC6-1-E Histone Deacetylase 6 (cluster #1 Of 3), Eukaryotic Eukaryotes 9 0.40 Binding ≤ 10μM
HDAC7-2-E Histone Deacetylase 7 (cluster #2 Of 3), Eukaryotic Eukaryotes 764 0.31 Binding ≤ 10μM
HDAC8-1-E Histone Deacetylase 8 (cluster #1 Of 4), Eukaryotic Eukaryotes 286 0.33 Binding ≤ 10μM
HDAC9-2-E Histone Deacetylase 9 (cluster #2 Of 3), Eukaryotic Eukaryotes 1040 0.30 Binding ≤ 10μM
Z80928-3-O HCT-116 (Colon Carcinoma Cells) (cluster #3 Of 9), Other Other 350 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HDAC1_HUMAN Q13547 Histone Deacetylase 1, Human 439 0.32 Binding ≤ 1μM
HDA10_HUMAN Q969S8 Histone Deacetylase 10, Human 958 0.30 Binding ≤ 1μM
HDA11_HUMAN Q96DB2 Histone Deacetylase 11, Human 546 0.31 Binding ≤ 1μM
HDAC3_HUMAN O15379 Histone Deacetylase 3, Human 240 0.33 Binding ≤ 1μM
HDAC5_HUMAN Q9UQL6 Histone Deacetylase 5, Human 695 0.31 Binding ≤ 1μM
HDAC6_HUMAN Q9UBN7 Histone Deacetylase 6, Human 9.38 0.40 Binding ≤ 1μM
HDAC7_HUMAN Q8WUI4 Histone Deacetylase 7, Human 764 0.31 Binding ≤ 1μM
HDAC8_HUMAN Q9BY41 Histone Deacetylase 8, Human 286 0.33 Binding ≤ 1μM
HDAC1_HUMAN Q13547 Histone Deacetylase 1, Human 439 0.32 Binding ≤ 10μM
HDA10_HUMAN Q969S8 Histone Deacetylase 10, Human 958 0.30 Binding ≤ 10μM
HDA11_HUMAN Q96DB2 Histone Deacetylase 11, Human 546 0.31 Binding ≤ 10μM
HDAC2_HUMAN Q92769 Histone Deacetylase 2, Human 1540 0.29 Binding ≤ 10μM
HDAC3_HUMAN O15379 Histone Deacetylase 3, Human 240 0.33 Binding ≤ 10μM
HDAC4_HUMAN P56524 Histone Deacetylase 4, Human 1250 0.30 Binding ≤ 10μM
HDAC5_HUMAN Q9UQL6 Histone Deacetylase 5, Human 695 0.31 Binding ≤ 10μM
HDAC6_HUMAN Q9UBN7 Histone Deacetylase 6, Human 9.38 0.40 Binding ≤ 10μM
HDAC7_HUMAN Q8WUI4 Histone Deacetylase 7, Human 764 0.31 Binding ≤ 10μM
HDAC8_HUMAN Q9BY41 Histone Deacetylase 8, Human 286 0.33 Binding ≤ 10μM
HDAC9_HUMAN Q9UKV0 Histone Deacetylase 9, Human 1040 0.30 Binding ≤ 10μM
Z80928 Z80928 HCT-116 (Colon Carcinoma Cells) 350 0.32 Functional ≤ 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) 3.86 8.41 -20.91 3 7 0 97 392.496 6 ↓

Analogs

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Popular Name: 6-[(11R)-12-oxo-2,10-dioxa-13-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-11-yl]hexanehydroxamic 6-[(11R)-12-oxo-2,10-dioxa-13-az…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HDA10-1-E Histone Deacetylase 10 (cluster #1 Of 3), Eukaryotic Eukaryotes 958 0.30 Binding ≤ 10μM
HDA11-2-E Histone Deacetylase 11 (cluster #2 Of 3), Eukaryotic Eukaryotes 546 0.31 Binding ≤ 10μM
HDAC1-1-E Histone Deacetylase 1 (cluster #1 Of 4), Eukaryotic Eukaryotes 439 0.32 Binding ≤ 10μM
HDAC2-3-E Histone Deacetylase 2 (cluster #3 Of 4), Eukaryotic Eukaryotes 1540 0.29 Binding ≤ 10μM
HDAC3-1-E Histone Deacetylase 3 (cluster #1 Of 3), Eukaryotic Eukaryotes 240 0.33 Binding ≤ 10μM
HDAC4-1-E Histone Deacetylase 4 (cluster #1 Of 3), Eukaryotic Eukaryotes 1250 0.30 Binding ≤ 10μM
HDAC5-1-E Histone Deacetylase 5 (cluster #1 Of 3), Eukaryotic Eukaryotes 695 0.31 Binding ≤ 10μM
HDAC6-1-E Histone Deacetylase 6 (cluster #1 Of 3), Eukaryotic Eukaryotes 9 0.40 Binding ≤ 10μM
HDAC7-2-E Histone Deacetylase 7 (cluster #2 Of 3), Eukaryotic Eukaryotes 764 0.31 Binding ≤ 10μM
HDAC8-1-E Histone Deacetylase 8 (cluster #1 Of 4), Eukaryotic Eukaryotes 286 0.33 Binding ≤ 10μM
HDAC9-2-E Histone Deacetylase 9 (cluster #2 Of 3), Eukaryotic Eukaryotes 1040 0.30 Binding ≤ 10μM
Z80928-3-O HCT-116 (Colon Carcinoma Cells) (cluster #3 Of 9), Other Other 350 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HDAC1_HUMAN Q13547 Histone Deacetylase 1, Human 439 0.32 Binding ≤ 1μM
HDA10_HUMAN Q969S8 Histone Deacetylase 10, Human 958 0.30 Binding ≤ 1μM
HDA11_HUMAN Q96DB2 Histone Deacetylase 11, Human 546 0.31 Binding ≤ 1μM
HDAC3_HUMAN O15379 Histone Deacetylase 3, Human 240 0.33 Binding ≤ 1μM
HDAC5_HUMAN Q9UQL6 Histone Deacetylase 5, Human 695 0.31 Binding ≤ 1μM
HDAC6_HUMAN Q9UBN7 Histone Deacetylase 6, Human 9.38 0.40 Binding ≤ 1μM
HDAC7_HUMAN Q8WUI4 Histone Deacetylase 7, Human 764 0.31 Binding ≤ 1μM
HDAC8_HUMAN Q9BY41 Histone Deacetylase 8, Human 286 0.33 Binding ≤ 1μM
HDAC1_HUMAN Q13547 Histone Deacetylase 1, Human 439 0.32 Binding ≤ 10μM
HDA10_HUMAN Q969S8 Histone Deacetylase 10, Human 958 0.30 Binding ≤ 10μM
HDA11_HUMAN Q96DB2 Histone Deacetylase 11, Human 546 0.31 Binding ≤ 10μM
HDAC2_HUMAN Q92769 Histone Deacetylase 2, Human 1540 0.29 Binding ≤ 10μM
HDAC3_HUMAN O15379 Histone Deacetylase 3, Human 240 0.33 Binding ≤ 10μM
HDAC4_HUMAN P56524 Histone Deacetylase 4, Human 1250 0.30 Binding ≤ 10μM
HDAC5_HUMAN Q9UQL6 Histone Deacetylase 5, Human 695 0.31 Binding ≤ 10μM
HDAC6_HUMAN Q9UBN7 Histone Deacetylase 6, Human 9.38 0.40 Binding ≤ 10μM
HDAC7_HUMAN Q8WUI4 Histone Deacetylase 7, Human 764 0.31 Binding ≤ 10μM
HDAC8_HUMAN Q9BY41 Histone Deacetylase 8, Human 286 0.33 Binding ≤ 10μM
HDAC9_HUMAN Q9UKV0 Histone Deacetylase 9, Human 1040 0.30 Binding ≤ 10μM
Z80928 Z80928 HCT-116 (Colon Carcinoma Cells) 350 0.32 Functional ≤ 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) 3.86 8.26 -20.25 3 7 0 97 392.496 6 ↓

Parameters Provided:

ring.id = 285385
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 = 285385 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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