UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: HMB-Val-Ser-Leu-VE HMB-Val-Ser-Leu-VE

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z100256-1-O Proteasome (cluster #1 Of 1), Other Other 33 0.29 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) 2.55 3.19 -14.18 5 10 0 154 505.612 14 ↓

Analogs

5821704
5821704
37000416
37000416
37000417
37000417
37019261
37019261
37019263
37019263

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Popular Name: Calpain inhibitor i Calpain inhibitor i

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Vendors

And 2 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CAN1-1-E Calpain 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 190 0.35 Binding ≤ 10μM
CATB-1-E Cathepsin B (cluster #1 Of 6), Eukaryotic Eukaryotes 150 0.35 Binding ≤ 10μM
CPNS1-1-E Calpain Small Subunit 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 7000 0.27 Binding ≤ 10μM
Z100256-1-O Proteasome (cluster #1 Of 1), Other Other 150 0.35 Binding ≤ 10μM
Z80193-7-O L1210 (Lymphocytic Leukemia Cells) (cluster #7 Of 12), Other Other 3000 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) 2.70 7.51 -17.28 3 7 0 104 383.533 13 ↓

Analogs

22061807
22061807
22061810
22061810

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Popular Name: Lactacystin Lactacystin

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Vendors

And 4 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SF3B3-1-E Splicing Factor 3B Subunit 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 3481 0.31 Binding ≤ 10μM
Z100256-1-O Proteasome (cluster #1 Of 1), Other Other 259 0.37 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) -2.76 -0.63 -56.94 4 9 -1 156 375.423 8 ↓

Analogs

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Popular Name: MG-132 MG-132

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And 8 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
IKBA-1-E NF-kappaB Inhibitor Alpha (cluster #1 Of 1), Eukaryotic Eukaryotes 5200 0.22 Binding ≤ 10μM
Z100256-1-O Proteasome (cluster #1 Of 1), Other Other 4 0.35 Binding ≤ 10μM
Z80035-7-O B16 (Melanoma Cells) (cluster #7 Of 7), Other Other 42 0.30 Functional ≤ 10μM
Z80224-6-O MCF7 (Breast Carcinoma Cells) (cluster #6 Of 14), Other Other 300 0.27 Functional ≤ 10μM
Z80390-3-O PC-3 (Prostate Carcinoma Cells) (cluster #3 Of 10), Other Other 600 0.26 Functional ≤ 10μM
Z80418-9-O RAW264.7 (Monocytic-macrophage Leukemia Cells) (cluster #9 Of 9), Other Other 439 0.26 Functional ≤ 10μM
Z81252-7-O MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #7 Of 11), Other Other 250 0.27 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) 6.29 9.21 -11.65 3 8 0 114 475.63 15 ↓

Parameters Provided:

target.name = Z100256-1-O
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 'Z100256-1-O' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?target.name=Z100256-1-O&target.type=B10&filter.purchasability=purchasable

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