UCSF
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Analogs

896621
896621

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Popular Name: MAZINDOL MAZINDOL

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q9WTR4-1-E Norepinephrine Transporter (cluster #1 Of 2), Eukaryotic Eukaryotes 1 0.63 Binding ≤ 10μM
SC6A2-2-E Norepinephrine Transporter (cluster #2 Of 2), Eukaryotic Eukaryotes 18 0.54 Binding ≤ 10μM
SC6A3-1-E Dopamine Transporter (cluster #1 Of 3), Eukaryotic Eukaryotes 45 0.51 Binding ≤ 10μM
SC6A4-1-E Serotonin Transporter (cluster #1 Of 4), Eukaryotic Eukaryotes 248 0.46 Binding ≤ 10μM
SC6A2-2-E Norepinephrine Transporter (cluster #2 Of 3), Eukaryotic Eukaryotes 5 0.58 Functional ≤ 10μM
SC6A3-1-E Dopamine Transporter (cluster #1 Of 1), Eukaryotic Eukaryotes 43 0.52 Functional ≤ 10μM
SC6A4-1-E Serotonin Transporter (cluster #1 Of 1), Eukaryotic Eukaryotes 94 0.49 Functional ≤ 10μM
Z80936-1-O HEK293 (Embryonic Kidney Fibroblasts) (cluster #1 Of 4), Other Other 94 0.49 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SC6A3_HUMAN Q01959 Dopamine Transporter, Human 22 0.54 Binding ≤ 1μM
SC6A3_RAT P23977 Dopamine Transporter, Rat 12.94 0.55 Binding ≤ 1μM
Q9WTR4_RAT Q9WTR4 Norepinephrine Transporter, Rat 0.8 0.64 Binding ≤ 1μM
SC6A2_HUMAN P23975 Norepinephrine Transporter, Human 18 0.54 Binding ≤ 1μM
SC6A4_RAT P31652 Serotonin Transporter, Rat 231 0.46 Binding ≤ 1μM
SC6A4_HUMAN P31645 Serotonin Transporter, Human 50 0.51 Binding ≤ 1μM
SC6A3_RAT P23977 Dopamine Transporter, Rat 12.94 0.55 Binding ≤ 10μM
SC6A3_HUMAN Q01959 Dopamine Transporter, Human 22 0.54 Binding ≤ 10μM
SC6A2_HUMAN P23975 Norepinephrine Transporter, Human 18 0.54 Binding ≤ 10μM
Q9WTR4_RAT Q9WTR4 Norepinephrine Transporter, Rat 0.8 0.64 Binding ≤ 10μM
SC6A4_HUMAN P31645 Serotonin Transporter, Human 50 0.51 Binding ≤ 10μM
SC6A4_RAT P31652 Serotonin Transporter, Rat 231 0.46 Binding ≤ 10μM
SC6A3_RAT P23977 Dopamine Transporter, Rat 8.4 0.57 Functional ≤ 10μM
SC6A3_HUMAN Q01959 Dopamine Transporter, Human 42.6 0.52 Functional ≤ 10μM
Z80936 Z80936 HEK293 (Embryonic Kidney Fibroblasts) 4.9 0.58 Functional ≤ 10μM
SC6A2_HUMAN P23975 Norepinephrine Transporter, Human 4.9 0.58 Functional ≤ 10μM
SC6A4_HUMAN P31645 Serotonin Transporter, Human 94 0.49 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) 2.52 -3.46 -30.23 2 3 1 37 285.754 1 ↓

Parameters Provided:

ring.id = 315
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 = 315 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=315&filter.purchasability=annotated

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