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34964456
34964456

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Popular Name: (2S)-2-[[4-[4-(2,4-diaminofuro[5,4-d]pyrimidin-5-yl)butyl]benzoyl]amino]pentanedioic (2S)-2-[[4-[4-(2,4-diaminofuro[5…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DYR-1-B Dihydrofolate Reductase (cluster #1 Of 4), Bacterial Bacteria 10000 0.21 Binding ≤ 10μM
Z80064-1-O CCRF-CEM (T-cell Leukemia) (cluster #1 Of 9), Other Other 4850 0.23 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DYR_LACCA P00381 Dihydrofolate Reductase, Lacca 10000 0.21 Binding ≤ 10μM
Z80064 Z80064 CCRF-CEM (T-cell Leukemia) 120 0.29 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) -0.23 6.52 -122.01 5 11 -2 200 453.455 11 ↓
Mid Mid (pH 6-8) -0.23 7.41 -127.25 6 11 -1 202 454.463 11 ↓
Mid Mid (pH 6-8) -0.23 3.09 -129.1 6 11 -1 202 454.463 11 ↓

Parameters Provided:

ring.id = 150471
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 = 150471 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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