UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38578936
38578936
38662545
38662545
34014207
34014207

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Popular Name: 6-[4-[1-(dimethylaminomethyl)cyclopropyl]phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydro 6-[4-[1-(dimethylaminomethyl)cyc…

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FA10-1-E Coagulation Factor X (cluster #1 Of 2), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 191 0.27 Binding ≤ 10μM
Z102222-1-O Plasma (cluster #1 Of 1), Other Other 1 0.36 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 0.1 0.40 Binding ≤ 1μM
THRB_HUMAN P00734 Thrombin, Human 191 0.27 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 0.1 0.40 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 191 0.27 Binding ≤ 10μM
Z102222 Z102222 Plasma 1.3 0.36 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) 4.64 13.6 -44.1 1 6 1 52 485.53 7 ↓

Analogs

38662545
38662545
40865714
40865714
34014207
34014207

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[4-[1-(diethylaminomethyl)cyclopropyl]phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydrop 6-[4-[1-(diethylaminomethyl)cycl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FA10-1-E Coagulation Factor X (cluster #1 Of 2), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
Z102222-1-O Plasma (cluster #1 Of 1), Other Other 2 0.33 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 0.1 0.38 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 0.1 0.38 Binding ≤ 10μM
Z102222 Z102222 Plasma 1.9 0.33 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) 5.40 14.98 -42.27 1 6 1 52 513.584 9 ↓

Parameters Provided:

ring.id = 592069
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 = 592069 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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