UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: AG-7088 AG-7088

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q4U254-1-V Human Rhinovirus A Protease (cluster #1 Of 3), Viral Viruses 23 0.25 Binding ≤ 10μM
Q4U254-1-V Human Rhinovirus A Protease (cluster #1 Of 1), Viral Viruses 5 0.27 Functional ≤ 10μM
Z101846-2-O Human Echovirus 6 (cluster #2 Of 2), Other Other 43 0.24 Functional ≤ 10μM
Z102516-1-O Human Rhinovirus Strain Hanks (cluster #1 Of 1), Other Other 51 0.24 Functional ≤ 10μM
Z50132-1-O Human Rhinovirus 39 (cluster #1 Of 1), Other Other 94 0.23 Functional ≤ 10μM
Z50615-2-O Human Echovirus 9 (cluster #2 Of 2), Other Other 15 0.25 Functional ≤ 10μM
Z50665-1-O Enterovirus (cluster #1 Of 1), Other Other 982 0.20 Functional ≤ 10μM
Z50674-1-O Human Rhinovirus 2 (cluster #1 Of 1), Other Other 67 0.23 Functional ≤ 10μM
Z50679-2-O Human Rhinovirus 14 (cluster #2 Of 2), Other Other 96 0.23 Functional ≤ 10μM
Z81247-1-O HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other Other 5 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) 2.69 0.54 -19.2 3 11 0 156 598.672 16 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: USAN) USAN)

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50078-1-O Human Rhinovirus 45 (cluster #1 Of 1), Other Other 250 0.37 Functional ≤ 10μM
Z50085-1-O Human Rhinovirus Sp. (cluster #1 Of 1), Other Other 40 0.41 Functional ≤ 10μM
Z50088-1-O Human Rhinovirus 9 (cluster #1 Of 1), Other Other 38 0.42 Functional ≤ 10μM
Z50091-1-O Human Rhinovirus 41 (cluster #1 Of 1), Other Other 27 0.42 Functional ≤ 10μM
Z50093-1-O Human Rhinovirus 63 (cluster #1 Of 1), Other Other 27 0.42 Functional ≤ 10μM
Z50094-1-O Human Rhinovirus 70 (cluster #1 Of 1), Other Other 110 0.39 Functional ≤ 10μM
Z50095-1-O Human Rhinovirus 86 (cluster #1 Of 1), Other Other 140 0.38 Functional ≤ 10μM
Z50130-1-O Human Rhinovirus 15 (cluster #1 Of 1), Other Other 42 0.41 Functional ≤ 10μM
Z50132-1-O Human Rhinovirus 39 (cluster #1 Of 1), Other Other 28 0.42 Functional ≤ 10μM
Z50135-1-O Human Rhinovirus 85 (cluster #1 Of 1), Other Other 33 0.42 Functional ≤ 10μM
Z50617-1-O Human Coxsackievirus B3 (cluster #1 Of 2), Other Other 700 0.34 Functional ≤ 10μM
Z50620-1-O Human Poliovirus 3 (cluster #1 Of 1), Other Other 40 0.41 Functional ≤ 10μM
Z50622-1-O Human Rhinovirus 1B (cluster #1 Of 2), Other Other 40 0.41 Functional ≤ 10μM
Z50670-1-O Human Poliovirus 2 (cluster #1 Of 1), Other Other 60 0.40 Functional ≤ 10μM
Z50674-1-O Human Rhinovirus 2 (cluster #1 Of 1), Other Other 26 0.42 Functional ≤ 10μM
Z50675-1-O Human Rhinovirus 89 (cluster #1 Of 1), Other Other 100 0.39 Functional ≤ 10μM
Z50679-2-O Human Rhinovirus 14 (cluster #2 Of 2), Other Other 110 0.39 Functional ≤ 10μM
Z50792-1-O Human Rhinovirus 29 (cluster #1 Of 1), Other Other 29 0.42 Functional ≤ 10μM
Z50793-1-O Human Rhinovirus 72 (cluster #1 Of 1), Other Other 720 0.34 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) 2.57 5.22 -13.89 3 7 0 111 358.423 4 ↓
Ref Reference (pH 7) 2.57 5.22 -14.35 3 7 0 111 358.423 4 ↓

Parameters Provided:

target.name = Z50132-1-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 'Z50132-1-O' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=Z50132-1-O&target.type=F10&filter.purchasability=purchasable

Embed Link to Results