UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q25615-1-E Chitinase (cluster #1 Of 1), Eukaryotic Eukaryotes 468 0.30 Binding ≤ 10μM
KINA-1-B Sporulation Kinase A (cluster #1 Of 1), Bacterial Bacteria 3800 0.25 Functional ≤ 10μM
SP0F-1-B Sporulation Initiation Phosphotransferase F (cluster #1 Of 1), Bacterial Bacteria 3800 0.25 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) 8.19 -0.06 -10.14 2 4 0 73 663.08 4

Analogs

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q25615-1-E Chitinase (cluster #1 Of 1), Eukaryotic Eukaryotes 468 0.30 Binding ≤ 10μM
KINA-1-B Sporulation Kinase A (cluster #1 Of 1), Bacterial Bacteria 3800 0.25 Functional ≤ 10μM
SP0F-1-B Sporulation Initiation Phosphotransferase F (cluster #1 Of 1), Bacterial Bacteria 3800 0.25 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) 8.17 -0.07 -10.53 2 4 0 73 663.08 4

Analogs

4014102
4014102

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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
Q25615-1-E Chitinase (cluster #1 Of 1), Eukaryotic Eukaryotes 5800 0.39 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) 5.86 -2.54 -7.24 2 3 0 49 499.473 2

Analogs

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q25615-1-E Chitinase (cluster #1 Of 1), Eukaryotic Eukaryotes 1700 0.43 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) 5.63 -2.08 -7.52 2 3 0 49 479.055 2

Analogs

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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
Q25615-1-E Chitinase (cluster #1 Of 1), Eukaryotic Eukaryotes 8700 0.35 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) 5.24 -2.38 -8.97 2 4 0 58 495.054 3

Parameters Provided:

target.name = Q25615-1-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 'Q25615-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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