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Popular Name: 3-[(2,3,4,5,6-pentafluorophenyl)amino]-1-(4-sulfamoylphenyl)thiourea 3-[(2,3,4,5,6-pentafluorophenyl)…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CAH1-5-E Carbonic Anhydrase I (cluster #5 Of 12), Eukaryotic Eukaryotes 84 0.38 Binding ≤ 10μM
CAH12-1-E Carbonic Anhydrase XII (cluster #1 Of 9), Eukaryotic Eukaryotes 18 0.42 Binding ≤ 10μM
CAH2-6-E Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic Eukaryotes 25 0.41 Binding ≤ 10μM
CAH9-1-E Carbonic Anhydrase IX (cluster #1 Of 11), Eukaryotic Eukaryotes 15 0.42 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CAH1_HUMAN P00915 Carbonic Anhydrase I, Human 78 0.38 Binding ≤ 1μM
CAH2_HUMAN P00918 Carbonic Anhydrase II, Human 19 0.42 Binding ≤ 1μM
CAH9_HUMAN Q16790 Carbonic Anhydrase IX, Human 15 0.42 Binding ≤ 1μM
CAH12_HUMAN O43570 Carbonic Anhydrase XII, Human 18 0.42 Binding ≤ 1μM
CAH1_HUMAN P00915 Carbonic Anhydrase I, Human 78 0.38 Binding ≤ 10μM
CAH2_HUMAN P00918 Carbonic Anhydrase II, Human 19 0.42 Binding ≤ 10μM
CAH9_HUMAN Q16790 Carbonic Anhydrase IX, Human 15 0.42 Binding ≤ 10μM
CAH12_HUMAN O43570 Carbonic Anhydrase XII, Human 18 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) 4.24 3.06 -16.18 5 6 0 98 412.365 5 ↓
Hi High (pH 8-9.5) 2.71 3.23 -38.62 4 6 -1 97 411.357 5 ↓

Parameters Provided:

ring.id = 151014
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 = 151014 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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