UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Ibandronate sodium Ibandronate sodium

Find On: PubMed — Wikipedia — Google

Vendors

And 33 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FDFT-2-E Squalene Synthetase (cluster #2 Of 4), Eukaryotic Eukaryotes 640 0.46 Binding ≤ 10μM
FPPS-1-E Farnesyl Diphosphate Synthase (cluster #1 Of 1), Eukaryotic Eukaryotes 480 0.47 Binding ≤ 10μM
Z50725-4-O Trypanosoma Brucei Rhodesiense (cluster #4 Of 7), Other Other 960 0.44 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) -0.56 -0.37 -173.95 3 8 -2 148 317.215 9 ↓
Hi High (pH 8-9.5) -0.56 0.81 -304.39 2 8 -3 151 316.207 9 ↓
Mid Mid (pH 6-8) -0.56 -1.47 -87.19 4 8 -1 145 318.223 9 ↓

Parameters Provided:

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

Permalink

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

Embed Link to Results