UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3,4-dimethyl-7-piperidino-2-p-phenetyl-pyrazolo[3,4-d]pyridazine 3,4-dimethyl-7-piperidino-2-p-ph…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CA2D1-2-E Voltage-gated Calcium Channel Alpha2/delta Subunit 1 (cluster #2 Of 4), Eukaryotic Eukaryotes 42 0.40 Binding ≤ 10μM
CA2D2-2-E Voltage-gated Calcium Channel Alpha2/delta Subunit 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 1000 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 -0.21 -14.09 0 6 0 56 351.454 4 ↓

Analogs

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Popular Name: 1,4,5,7-tetramethyl-6-p-phenetyl-pyrrolo[3,4-d]pyridazine 1,4,5,7-tetramethyl-6-p-phenetyl…

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Vendors

And 6 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CA2D1-2-E Voltage-gated Calcium Channel Alpha2/delta Subunit 1 (cluster #2 Of 4), Eukaryotic Eukaryotes 180 0.43 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) 3.21 2.63 -13.41 0 4 0 39 295.386 3 ↓

Parameters Provided:

target.name = CA2D1-2-E
target.type = B10
page.format = summary
page.num = 1
filter.purchasability = purchasable

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 activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'CA2D1-2-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=CA2D1-2-E&target.type=B10&filter.purchasability=purchasable

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