UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8214681
8214681
8214760
8214760

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Popular Name: JAN JAN

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TARB1-1-E TAR RNA Binding Protein 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 9500 0.18 Binding ≤ 10μM
TRBP2-1-E TAR RNA Binding Protein 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 9500 0.18 Binding ≤ 10μM
Z50212-7-O Escherichia Coli (cluster #7 Of 7), Other Other 1050 0.21 Functional ≤ 10μM
Z50380-2-O Mycobacterium Smegmatis (cluster #2 Of 4), Other Other 500 0.22 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) -5.28 -15.28 -142.69 19 19 3 339 584.604 11 ↓
Mid Mid (pH 6-8) -5.28 -16.72 -90.55 18 19 2 335 583.596 11 ↓

Analogs

8214392
8214392
38139392
38139392
38139393
38139393

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Popular Name: gentamicin sulfate gentamicin sulfate

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Vendors

And 3 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50212-7-O Escherichia Coli (cluster #7 Of 7), Other Other 30 0.32 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) -4.21 -7.42 -414.09 16 12 5 214 482.643 7 ↓
Hi High (pH 8-9.5) -4.21 -9.07 -99.13 13 12 2 206 479.619 7 ↓
Hi High (pH 8-9.5) -4.21 -8.66 -180.42 14 12 3 208 480.627 7 ↓

Analogs

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Popular Name: BEKANAMYCIN SULFATE BEKANAMYCIN SULFATE

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z100263-1-O Ribosomal RNA A-site (cluster #1 Of 1), Other Other 1400 0.25 Binding ≤ 10μM
Z50212-7-O Escherichia Coli (cluster #7 Of 7), Other Other 400 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) -5.82 -21.35 -307.83 20 15 4 295 487.551 6 ↓
Hi High (pH 8-9.5) -5.82 -22.1 -130.72 18 15 2 292 485.535 6 ↓
Hi High (pH 8-9.5) -5.82 -22.05 -114.94 18 15 2 292 485.535 6 ↓

Parameters Provided:

target.name = Z50212-7-O
target.type = F10
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 'Z50212-7-O' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?target.name=Z50212-7-O&target.type=F10&filter.purchasability=purchasable

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