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Popular Name: (2S)-2-[[4-[(2-amino-4-hydroxy-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-2-fluoro-benzoyl]amino]pent (2S)-2-[[4-[(2-amino-4-hydroxy-q…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TYSY-1-E Thymidylate Synthase (cluster #1 Of 3), Eukaryotic Eukaryotes 9 0.31 Binding ≤ 10μM
Z80193-2-O L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other Other 1100 0.23 Functional ≤ 10μM
Z80199-1-O L1210 (R7A) (cluster #1 Of 1), Other Other 6200 0.20 Functional ≤ 10μM
Z81133-1-O L1210 (1565) (cluster #1 Of 1), Other Other 600 0.24 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) -0.73 7.42 -134.96 4 11 -2 184 493.451 10 ↓
Hi High (pH 8-9.5) -0.27 6.33 -180.19 3 11 -3 187 492.443 10 ↓
Lo Low (pH 4.5-6) -0.73 6.3 -83.63 5 11 -1 182 494.459 10 ↓

Parameters Provided:

annotation.name = Z80199
anotation.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 note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'Z80199' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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