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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35855386
35855386
35855387
35855387
36373156
36373156

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl N-(4-methyl-1-oxopentan-2-yl)carbamate tert-butyl N-(4-methyl-1-oxopent…

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And 5 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CATK-2-E Cathepsin K (cluster #2 Of 3), Eukaryotic Eukaryotes 31 0.70 Binding ≤ 10μM
CATK-2-E Cathepsin K (cluster #2 Of 3), Eukaryotic Eukaryotes 31 0.70 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) 4.39 1.29 -9.76 1 4 0 55 215.293 6 ↓

Analogs

36373156
36373156
11974806
11974806
11974813
11974813

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Popular Name: N-Boc-2(R),3(R)-3-methylpentanal N-Boc-2(R),3(R)-3-methylpentanal

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CATK-2-E Cathepsin K (cluster #2 Of 3), Eukaryotic Eukaryotes 130 0.64 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) 4.36 4.06 -9.48 1 4 0 55 215.293 6 ↓

Analogs

11974813
11974813
26666856
26666856
36373156
36373156

Draw Identity 99% 90% 80% 70%

Popular Name: Carbamic acid, [(1S)-1-formyl-2-methylbutyl]-, 1,1-dimethylethyl ester (9CI) Carbamic acid, [(1S)-1-formyl-2-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CATK-2-E Cathepsin K (cluster #2 Of 3), Eukaryotic Eukaryotes 250 0.62 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) 4.36 1.35 -9 1 4 0 55 215.293 6 ↓

Analogs

26666856
26666856
36373156
36373156
11974806
11974806

Draw Identity 99% 90% 80% 70%

Popular Name: Boc-(L)-ILEU-aldehyde Boc-(L)-ILEU-aldehyde

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CATK-2-E Cathepsin K (cluster #2 Of 3), Eukaryotic Eukaryotes 250 0.62 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) 4.36 0.98 -8.83 1 4 0 55 215.293 6 ↓

Analogs

36373156
36373156

Draw Identity 99% 90% 80% 70%

Popular Name: Triethylindium Triethylindium

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CATK-2-E Cathepsin K (cluster #2 Of 3), Eukaryotic Eukaryotes 51 0.68 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) 4.68 4.62 -10.57 1 4 0 55 215.293 7 ↓

Analogs

35855386
35855386
35855387
35855387

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CATK-2-E Cathepsin K (cluster #2 Of 3), Eukaryotic Eukaryotes 36 0.58 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) 5.48 6.33 -9.63 1 4 0 55 255.358 6 ↓

Analogs

13588581
13588581
36467053
36467053

Draw Identity 99% 90% 80% 70%

Popular Name: Boc-L-Valinal Boc-L-Valinal

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And 1 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CATK-2-E Cathepsin K (cluster #2 Of 3), Eukaryotic Eukaryotes 160 0.68 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) 3.86 1.18 -9.24 1 4 0 55 201.266 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Carbamic acid, [(1S)-1-formyl-3-methoxypropyl]-, 1,1-dimethylethyl ester (9CI) Carbamic acid, [(1S)-1-formyl-3-…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CATK-2-E Cathepsin K (cluster #2 Of 3), Eukaryotic Eukaryotes 680 0.58 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) 2.99 2.15 -10.26 1 5 0 65 217.265 7 ↓

Analogs

34612002
34612002

Draw Identity 99% 90% 80% 70%

Popular Name: Carbamic acid, (1-formylpropyl)-, 1,1-dimethylethyl ester (9CI) Carbamic acid, (1-formylpropyl)-…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CATK-2-E Cathepsin K (cluster #2 Of 3), Eukaryotic Eukaryotes 58 0.78 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) 3.62 3.08 -10.1 1 4 0 55 187.239 5 ↓

Analogs

36373156
36373156

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-tert-Butyl (1-oxopentan-2-yl)carbamate (S)-tert-Butyl (1-oxopentan-2-yl…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CATK-2-E Cathepsin K (cluster #2 Of 3), Eukaryotic Eukaryotes 38 0.74 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) 4.18 3.84 -9.84 1 4 0 55 201.266 6 ↓

Analogs

34599731
34599731

Draw Identity 99% 90% 80% 70%

Popular Name: Carbamic acid, (1-formyl-3-pentynyl)-, 1,1-dimethylethyl ester (9CI) Carbamic acid, (1-formyl-3-penty…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CATK-2-E Cathepsin K (cluster #2 Of 3), Eukaryotic Eukaryotes 410 0.60 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) 3.98 4.42 -12.32 1 4 0 55 211.261 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1-Methyl-2-oxoethyl)carbamic acid tert-butyl ester (1-Methyl-2-oxoethyl)carbamic ac…

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And 31 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CATK-2-E Cathepsin K (cluster #2 Of 3), Eukaryotic Eukaryotes 200 0.78 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) 3.08 0.05 -9.79 1 4 0 55 173.212 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-Boc-2-aminoacetaldehyde N-Boc-2-aminoacetaldehyde

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And 14 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CATK-2-E Cathepsin K (cluster #2 Of 3), Eukaryotic Eukaryotes 5800 0.67 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) 0.95 0.94 -9.28 1 4 0 55 159.185 4 ↓

Analogs

34427914
34427914
34427916
34427916

Draw Identity 99% 90% 80% 70%

Popular Name: Carbamic acid, [(1S,3E)-1-formyl-3-pentenyl]-, 1,1-dimethylethyl ester (9CI) Carbamic acid, [(1S,3E)-1-formyl…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CATK-2-E Cathepsin K (cluster #2 Of 3), Eukaryotic Eukaryotes 41 0.69 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) 3.91 4.29 -9.99 1 4 0 55 213.277 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Carbamic acid, [(1S)-1-formyl-3-methyl-3-butenyl]-, 1,1-dimethylethyl ester Carbamic acid, [(1S)-1-formyl-3-…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CATK-2-E Cathepsin K (cluster #2 Of 3), Eukaryotic Eukaryotes 79 0.66 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) 4.20 4.26 -10.13 1 4 0 55 213.277 6 ↓

Analogs

36373156
36373156

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Popular Name: DNC006242 DNC006242

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CATK-2-E Cathepsin K (cluster #2 Of 3), Eukaryotic Eukaryotes 51 0.68 Binding ≤ 10μM
CATL1-3-E Cathepsin L (cluster #3 Of 5), Eukaryotic Eukaryotes 8900 0.47 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) 4.68 4.63 -9.83 1 4 0 55 215.293 7 ↓

Parameters Provided:

target.name = CATK-2-E
target.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 activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'CATK-2-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=CATK-2-E&target.type=B10&filter.purchasability=purchasable

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