UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N6-[(5-nitro-2-thienyl)methyleneamino]-1,3,5-triazine-2,4,6-triamine N6-[(5-nitro-2-thienyl)methylene…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50420-4-O Trypanosoma Brucei Brucei (cluster #4 Of 7), Other Other 850 0.45 Functional ≤ 10μM
Z50466-7-O Trypanosoma Cruzi (cluster #7 Of 8), Other Other 2600 0.41 Functional ≤ 10μM
Z50725-2-O Trypanosoma Brucei Rhodesiense (cluster #2 Of 7), Other Other 240 0.49 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50420 Z50420 Trypanosoma Brucei Brucei 1520 0.43 Functional ≤ 10μM
Z50725 Z50725 Trypanosoma Brucei Rhodesiense 240 0.49 Functional ≤ 10μM
Z50466 Z50466 Trypanosoma Cruzi 2600 0.41 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) 0.51 6.91 -19.67 5 10 0 161 280.273 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N6-(2-thienylmethyleneamino)-1,3,5-triazine-2,4,6-triamine N6-(2-thienylmethyleneamino)-1,3…

Find On: PubMed — Wikipedia — Google

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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) 0.42 6.54 -11.04 5 7 0 115 235.276 3 ↓

Parameters Provided:

ring.id = 150591
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 = 150591 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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