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Popular Name: 7-(2-methoxyphenyl)quinazoline-2,4-diamine 7-(2-methoxyphenyl)quinazoline-2…

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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 1138 0.42 Binding ≤ 10μM
DYR-1-B Dihydrofolate Reductase (cluster #1 Of 4), Bacterial Bacteria 3 0.60 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DYR_STAAU P0A017 Dihydrofolate Reductase, Staau 2.7 0.60 Binding ≤ 1μM
DYR_STAAU P0A017 Dihydrofolate Reductase, Staau 2.7 0.60 Binding ≤ 10μM
DYR_HUMAN P00374 Dihydrofolate Reductase, Human 1138 0.42 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) 2.73 6.42 -27.34 5 5 1 88 267.312 2 ↓
Hi High (pH 8-9.5) 2.73 5.95 -11.04 4 5 0 87 266.304 2 ↓

Parameters Provided:

ring.id = 287112
filter.purchasability = annotated
page.format = targets
page.num = 1

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 hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 287112 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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