UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-chloro-4,5-dimethoxy-phenyl)ethanehydroxamic-acid 2-(2-chloro-4,5-dimethoxy-phenyl…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DEF-1-B Peptide Deformylase (cluster #1 Of 1), Bacterial Bacteria 200 0.59 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) 1.16 1.82 -16.65 2 5 0 68 245.662 4 ↓
Hi High (pH 8-9.5) 1.16 3.04 -55.01 1 5 -1 71 244.654 4 ↓

Analogs

3871393
3871393
3871392
3871392

Draw Identity 99% 90% 80% 70%

Popular Name: ACTINONIN ACTINONIN

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DEF-1-B Peptide Deformylase (cluster #1 Of 1), Bacterial Bacteria 5 0.43 Binding ≤ 10μM
Q9JN24-1-B Peptide Deformylase (cluster #1 Of 1), Bacterial Bacteria 140 0.36 Binding ≤ 10μM
DEF1A-1-E Peptide Deformylase 1A, Chloroplastic (cluster #1 Of 1), Eukaryotic Eukaryotes 27 0.39 Binding ≤ 10μM
DEFM-1-E Peptide Deformylase Mitochondrial (cluster #1 Of 2), Eukaryotic Eukaryotes 600 0.32 Binding ≤ 10μM
ECE1-1-E Endothelin-converting Enzyme 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 4000 0.28 Binding ≤ 10μM
MMP1-2-E Matrix Metalloproteinase-1 (cluster #2 Of 2), Eukaryotic Eukaryotes 300 0.34 Binding ≤ 10μM
MMP1-2-E Matrix Metalloproteinase-1 (cluster #2 Of 2), Eukaryotic Eukaryotes 1100 0.31 Binding ≤ 10μM
MMP2-1-E 72 KDa Type IV Collagenase (cluster #1 Of 3), Eukaryotic Eukaryotes 3000 0.29 Binding ≤ 10μM
MMP3-1-E Matrix Metalloproteinase 3 (cluster #1 Of 3), Eukaryotic Eukaryotes 1700 0.30 Binding ≤ 10μM
MMP3-1-E Matrix Metalloproteinase 3 (cluster #1 Of 3), Eukaryotic Eukaryotes 6000 0.27 Binding ≤ 10μM
MMP8-1-E Matrix Metalloproteinase 8 (cluster #1 Of 4), Eukaryotic Eukaryotes 190 0.35 Binding ≤ 10μM
MMP9-2-E Matrix Metalloproteinase 9 (cluster #2 Of 3), Eukaryotic Eukaryotes 330 0.34 Binding ≤ 10μM
NEP-2-E Neprilysin (cluster #2 Of 2), Eukaryotic Eukaryotes 8200 0.26 Binding ≤ 10μM
Z50425-6-O Plasmodium Falciparum (cluster #6 Of 22), Other Other 2512 0.29 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) 1.51 2.32 -16.44 4 8 0 119 385.505 11 ↓
Hi High (pH 8-9.5) 1.51 3.4 -55.95 3 8 -1 122 384.497 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-Oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanohydrazide 2-(3-Oxo-3,4-dihydro-2H-1,4-benz…

Find On: PubMed — Wikipedia — Google

Vendors

And 5 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DEF-1-B Peptide Deformylase (cluster #1 Of 1), Bacterial Bacteria 330 0.57 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) -0.72 1.1 -12.45 4 5 0 84 237.284 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-Oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanohydrazide 2-(3-Oxo-3,4-dihydro-2H-1,4-benz…

Find On: PubMed — Wikipedia — Google

Vendors

And 5 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DEF-1-B Peptide Deformylase (cluster #1 Of 1), Bacterial Bacteria 330 0.57 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) -0.72 1.1 -12.45 4 5 0 84 237.284 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-hydroxy-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide N-hydroxy-2-(3-oxo-3,4-dihydro-2…

Find On: PubMed — Wikipedia — Google

Vendors

And 6 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DEF-1-B Peptide Deformylase (cluster #1 Of 1), Bacterial Bacteria 5 0.73 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) 0.41 1.19 -15.69 3 5 0 78 238.268 2 ↓
Hi High (pH 8-9.5) 0.41 2.4 -55.94 2 5 -1 81 237.26 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-hydroxy-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide N-hydroxy-2-(3-oxo-3,4-dihydro-2…

Find On: PubMed — Wikipedia — Google

Vendors

And 6 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DEF-1-B Peptide Deformylase (cluster #1 Of 1), Bacterial Bacteria 5 0.73 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) 0.41 1.19 -15.65 3 5 0 78 238.268 2 ↓
Hi High (pH 8-9.5) 0.41 2.4 -55.94 2 5 -1 81 237.26 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methoxy-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide N-methoxy-2-[(2S)-3-oxo-4H-1,4-b…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DEF-1-B Peptide Deformylase (cluster #1 Of 1), Bacterial Bacteria 74 0.59 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) 0.69 3.37 -16.91 2 5 0 67 252.295 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methoxy-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide N-methoxy-2-[(2R)-3-oxo-4H-1,4-b…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DEF-1-B Peptide Deformylase (cluster #1 Of 1), Bacterial Bacteria 74 0.59 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) 0.69 3.37 -16.88 2 5 0 67 252.295 3 ↓

Parameters Provided:

annotation.name = DEF_STAAM
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 'DEF\\_STAAM' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

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

Embed Link to Results