UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

5683818
5683818
5683825
5683825
21789265
21789265

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Popular Name: 4-Methylbenzenesulfonhydrazide 4-Methylbenzenesulfonhydrazide

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Vendors

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
METC-2-B Cystathionine Beta-lyase MetC (cluster #2 Of 3), Bacterial Bacteria 2200 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) 0.84 -0.1 -8.8 3 4 0 72 186.236 2 ↓

Analogs

34955830
34955830
34955919
34955919

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Popular Name: 3,4-DICHLOROBENZENESULPHONYLHYDRAZIDE 3,4-DICHLOROBENZENESULPHONYLHYDR…

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
METC-2-B Cystathionine Beta-lyase MetC (cluster #2 Of 3), Bacterial Bacteria 1800 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) 1.68 0.28 -18.5 3 4 0 76 241.099 2 ↓
Lo Low (pH 4.5-6) 1.68 0.19 -9.07 3 4 0 72 241.099 2 ↓

Analogs

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Popular Name: 5-chlorothiophene-2-sulfonohydrazide 5-chlorothiophene-2-sulfonohydra…

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Vendors

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
METC-2-B Cystathionine Beta-lyase MetC (cluster #2 Of 3), Bacterial Bacteria 6900 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) 1.14 -1.1 -18.79 3 4 0 76 212.683 2 ↓

Parameters Provided:

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

Permalink

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

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