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Popular Name: 2-(4-(diphenylmethyl)piperazinyl)-N,N-diphenylethanamide 2-(4-(diphenylmethyl)piperazinyl…

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CA2D1-1-E Voltage-gated Calcium Channel Alpha2/delta Subunit 1 (cluster #1 Of 4), Eukaryotic Eukaryotes 260 0.26 Binding ≤ 10μM
CAC1B-2-E Voltage-gated N-type Calcium Channel Alpha-1B Subunit (cluster #2 Of 2), Eukaryotic Eukaryotes 260 0.26 Binding ≤ 10μM
CACB1-1-E Voltage-dependent L-type Calcium Channel Subunit Beta-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 260 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CACB1_RAT P54283 Voltage-dependent L-type Calcium Channel Subunit Beta-1, Rat 260 0.26 Binding ≤ 1μM
CA2D1_RAT P54290 Voltage-gated Calcium Channel Alpha2/delta Subunit 1, Rat 260 0.26 Binding ≤ 1μM
CAC1B_RAT Q02294 Voltage-gated N-type Calcium Channel Alpha-1B Subunit, Rat 260 0.26 Binding ≤ 1μM
CACB1_RAT P54283 Voltage-dependent L-type Calcium Channel Subunit Beta-1, Rat 260 0.26 Binding ≤ 10μM
CA2D1_RAT P54290 Voltage-gated Calcium Channel Alpha2/delta Subunit 1, Rat 260 0.26 Binding ≤ 10μM
CAC1B_RAT Q02294 Voltage-gated N-type Calcium Channel Alpha-1B Subunit, Rat 260 0.26 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) 6.16 15 -9.39 0 4 0 27 461.609 7 ↓
Mid Mid (pH 6-8) 6.16 17.19 -38.3 1 4 1 28 462.617 7 ↓
Mid Mid (pH 6-8) 6.16 16.58 -35.98 1 4 1 28 462.617 7 ↓

Parameters Provided:

ring.id = 18695
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 = 18695 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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