UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[[[(1Z)-1-[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]ethyl]amino]carbamothioyl]-N-me 1-[[[(1Z)-1-[1-(3,4-dimethylphen…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TPOR-1-E Thrombopoietin Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 22 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TPOR_HUMAN P40238 Thrombopoietin Receptor, Human 22 0.32 Binding ≤ 1μM
TPOR_HUMAN P40238 Thrombopoietin Receptor, Human 22 0.32 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) 3.57 11.29 -21.71 3 8 0 91 476.606 6 ↓
Hi High (pH 8-9.5) 3.61 11.84 -50.5 2 8 -1 92 475.598 5 ↓

Analogs

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Popular Name: 1-[[[(1Z)-1-[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]ethyl]amino]carbamothioyl]indol 1-[[[(1Z)-1-[1-(3,4-dimethylphen…

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TPOR-1-E Thrombopoietin Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 6 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TPOR_HUMAN P40238 Thrombopoietin Receptor, Human 6 0.35 Binding ≤ 1μM
TPOR_HUMAN P40238 Thrombopoietin Receptor, Human 6 0.35 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) 4.29 13.55 -61.26 2 8 -1 102 462.555 6 ↓
Hi High (pH 8-9.5) 4.33 14.12 -111.5 1 8 -2 103 461.547 5 ↓

Parameters Provided:

ring.id = 366106
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 = 366106 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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