UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-benzyl-6-nitro-1,2-benzothiazol-3-one 2-benzyl-6-nitro-1,2-benzothiazo…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KAT2B-1-E Histone Acetyltransferase PCAF (cluster #1 Of 2), Eukaryotic Eukaryotes 7660 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) 3.42 0.46 -8.51 0 5 0 67 286.312 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-fluoro-2-(p-tolyl)-1,2-benzothiazol-3-one 6-fluoro-2-(p-tolyl)-1,2-benzoth…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KAT2B-1-E Histone Acetyltransferase PCAF (cluster #1 Of 2), Eukaryotic Eukaryotes 3690 0.42 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) 3.75 1.37 -8.46 0 2 0 22 259.305 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-chloro-2-fluorophenyl)-2,3-dihydroisothiazol-3-one 2-(3-chloro-2-fluorophenyl)-2,3-…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KAT2B-1-E Histone Acetyltransferase PCAF (cluster #1 Of 2), Eukaryotic Eukaryotes 5400 0.53 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) 2.81 0.97 -14.3 0 2 0 22 229.663 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 78824-30-3; C09929; Garcinol 78824-30-3; C09929; Garcinol

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
EP300-1-E Histone Acetyltransferase P300 (cluster #1 Of 2), Eukaryotic Eukaryotes 6600 0.16 Binding ≤ 10μM
KAT2B-1-E Histone Acetyltransferase PCAF (cluster #1 Of 2), Eukaryotic Eukaryotes 6000 0.17 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) 8.29 2.56 -10.4 3 6 0 111 602.812 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: LY266500 LY266500

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KAT2B-1-E Histone Acetyltransferase PCAF (cluster #1 Of 2), Eukaryotic Eukaryotes 4200 0.54 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) 2.83 0.92 -12.84 0 2 0 22 229.663 1 ↓

Parameters Provided:

annotation.name = KAT2B_HUMAN
anotation.type = B10
page.format = summary
page.num = 1
filter.purchasability = purchasable

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 note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'KAT2B\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?annotation.name=KAT2B_HUMAN&filter.purchasability=purchasable

Embed Link to Results