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Popular Name: 9-[(2R,3S,5R)-3-fluoro-5-[[(3S)-3-oxo-2,4-dioxa-3$l^{5}-phosphabicyclo[4.4.0]deca-1(6),7,9-trien-3-y 9-[(2R,3S,5R)-3-fluoro-5-[[(3S)-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80737-1-O C3H/3T3 (Embryonic Fibroblast Cells) (cluster #1 Of 1), Other Other 1700 0.28 Functional ≤ 10μM
Z80874-1-O CEM (T-cell Leukemia) (cluster #1 Of 7), Other Other 4530 0.26 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80737 Z80737 C3H/3T3 (Embryonic Fibroblast Cells) 1700 0.28 Functional ≤ 10μM
Z80874 Z80874 CEM (T-cell Leukemia) 1850 0.28 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) 1.40 8.52 -20.28 2 10 0 124 421.325 4 ↓

Parameters Provided:

ring.id = 513795
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 = 513795 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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