UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: Chlorhexidine Chlorhexidine

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MMP2-1-E 72 KDa Type IV Collagenase (cluster #1 Of 3), Eukaryotic Eukaryotes 7630 0.21 Binding ≤ 10μM
MMP9-1-E Matrix Metalloproteinase 9 (cluster #1 Of 3), Eukaryotic Eukaryotes 7630 0.21 Binding ≤ 10μM
TYTR-1-E Trypanothione Reductase (cluster #1 Of 2), Eukaryotic Eukaryotes 2000 0.23 Binding ≤ 10μM
Z102476-1-O Acanthamoeba Castellanii (cluster #1 Of 1), Other Other 1563 0.24 Functional ≤ 10μM
Z102478-1-O Acanthamoeba Polyphaga (cluster #1 Of 1), Other Other 3125 0.23 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) 3.60 14.15 -13.35 11 10 0 177 506.466 14 ↓
Ref Reference (pH 7) 3.60 15.3 -35.73 11 10 1 177 506.466 14 ↓
Hi High (pH 8-9.5) 3.73 14.48 -12.8 11 10 0 174 506.466 15 ↓

Parameters Provided:

target.name = Z102478-1-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 'Z102478-1-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=Z102478-1-O&target.type=F10&filter.purchasability=purchasable

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