UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12832812
12832812
13557154
13557154
26737137
26737137
3642556
3642556
1490075
1490075

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Popular Name: (R,R)-THC (R,R)-THC

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ESR1-1-E Estrogen Receptor Alpha (cluster #1 Of 5), Eukaryotic Eukaryotes 3 0.50 Binding ≤ 10μM
ESR2-1-E Estrogen Receptor Beta (cluster #1 Of 4), Eukaryotic Eukaryotes 3 0.50 Binding ≤ 10μM
Z50425-11-O Plasmodium Falciparum (cluster #11 Of 22), Other Other 3981 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ESR1_HUMAN P03372 Estrogen Receptor Alpha, Human 3 0.50 Binding ≤ 1μM
ESR2_HUMAN Q92731 Estrogen Receptor Beta, Human 3 0.50 Binding ≤ 1μM
ESR1_HUMAN P03372 Estrogen Receptor Alpha, Human 3 0.50 Binding ≤ 10μM
ESR2_HUMAN Q92731 Estrogen Receptor Beta, Human 3 0.50 Binding ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 3981.07171 0.31 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) 4.98 7.81 -6.37 2 2 0 40 320.432 2 ↓

Parameters Provided:

ring.id = 245963
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 = 245963 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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