UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Aminopterin Aminopterin

Find On: PubMed — Wikipedia — Google

Vendors

And 16 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DYR-1-E Dihydrofolate Reductase (cluster #1 Of 3), Eukaryotic Eukaryotes 35 0.33 Binding ≤ 10μM
Z50212-1-O Escherichia Coli (cluster #1 Of 7), Other Other 0 0.00 Functional ≤ 10μM
Z50362-1-O Lactobacillus Casei (cluster #1 Of 1), Other Other 0 0.00 Functional ≤ 10μM
Z50587-1-O Homo Sapiens (cluster #1 Of 9), Other Other 320 0.28 Functional ≤ 10μM
Z80064-1-O CCRF-CEM (T-cell Leukemia) (cluster #1 Of 9), Other Other 4 0.37 Functional ≤ 10μM
Z80119-1-O Detroit 98 (cluster #1 Of 1), Other Other 2 0.38 Functional ≤ 10μM
Z80171-1-O HuTu80 (cluster #1 Of 1), Other Other 5 0.36 Functional ≤ 10μM
Z80193-2-O L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other Other 7900 0.22 Functional ≤ 10μM
Z80457-1-O SCC-25 (cluster #1 Of 1), Other Other 7 0.36 Functional ≤ 10μM
Z80459-1-O SCC-7 (cluster #1 Of 1), Other Other 4 0.37 Functional ≤ 10μM
Z80830-1-O Ehrlich (Ehrlich Ascites Carcinoma Cells) (cluster #1 Of 1), Other Other 2050 0.25 Functional ≤ 10μM
Z80874-1-O CEM (T-cell Leukemia) (cluster #1 Of 7), Other Other 320 0.28 Functional ≤ 10μM
Z81131-1-O L Cells (Fibroblasts) (cluster #1 Of 1), Other Other 2 0.38 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) -2.21 4.48 -122.21 6 13 -2 225 438.404 9 ↓
Lo Low (pH 4.5-6) -2.21 4.93 -127.62 7 13 -1 226 439.412 9 ↓

Parameters Provided:

target.name = Z81131-1-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 'Z81131-1-O' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=Z81131-1-O&target.type=F10&filter.purchasability=purchasable

Embed Link to Results