UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1,3-Dipropyl-1H-purine-2,6(3H,7H)-dione 1,3-Dipropyl-1H-purine-2,6(3H,7H…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AA1R-2-E Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic Eukaryotes 210 0.55 Binding ≤ 10μM
AA2AR-1-E Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 3000 0.45 Binding ≤ 10μM
AA2BR-1-E Adenosine A2b Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 6600 0.43 Binding ≤ 10μM
ADCY1-1-E Brain Adenylate Cyclase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 1900 0.47 Binding ≤ 10μM
ADCY2-1-E Adenylate Cyclase Type II (cluster #1 Of 2), Eukaryotic Eukaryotes 1900 0.47 Binding ≤ 10μM
ADCY3-1-E Adenylate Cyclase Type III (cluster #1 Of 2), Eukaryotic Eukaryotes 1900 0.47 Binding ≤ 10μM
ADCY5-1-E Adenylate Cyclase Type V (cluster #1 Of 2), Eukaryotic Eukaryotes 1900 0.47 Binding ≤ 10μM
ADCY6-1-E Adenylate Cyclase Type VI (cluster #1 Of 2), Eukaryotic Eukaryotes 1900 0.47 Binding ≤ 10μM
ADCY7-1-E Adenylate Cyclase Type VII (cluster #1 Of 2), Eukaryotic Eukaryotes 1900 0.47 Binding ≤ 10μM
ADCY8-2-E Adenylate Cyclase Type VIII (cluster #2 Of 2), Eukaryotic Eukaryotes 1900 0.47 Binding ≤ 10μM
ADCY9-1-E Adenylate Cyclase Type IX (cluster #1 Of 2), Eukaryotic Eukaryotes 1900 0.47 Binding ≤ 10μM
AA2AR-1-E Adenosine A2a Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 2700 0.46 Functional ≤ 10μM
AA2BR-1-E Adenosine A2b Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 680 0.51 Functional ≤ 10μM
Z50512-5-O Cavia Porcellus (cluster #5 Of 7), Other Other 8100 0.42 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) 1.75 0.06 -10.94 1 6 0 72 236.275 4 ↓

Analogs

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Popular Name: LS-193210 LS-193210

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ADCY1-1-E Brain Adenylate Cyclase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 254 0.23 Binding ≤ 10μM
ADCY2-2-E Adenylate Cyclase Type II (cluster #2 Of 2), Eukaryotic Eukaryotes 254 0.23 Binding ≤ 10μM
ADCY3-2-E Adenylate Cyclase Type III (cluster #2 Of 2), Eukaryotic Eukaryotes 254 0.23 Binding ≤ 10μM
ADCY4-2-E Adenylate Cyclase Type IV (cluster #2 Of 2), Eukaryotic Eukaryotes 254 0.23 Binding ≤ 10μM
ADCY5-2-E Adenylate Cyclase Type V (cluster #2 Of 2), Eukaryotic Eukaryotes 254 0.23 Binding ≤ 10μM
ADCY6-2-E Adenylate Cyclase Type VI (cluster #2 Of 2), Eukaryotic Eukaryotes 254 0.23 Binding ≤ 10μM
ADCY7-2-E Adenylate Cyclase Type VII (cluster #2 Of 2), Eukaryotic Eukaryotes 254 0.23 Binding ≤ 10μM
ADCY8-1-E Adenylate Cyclase Type VIII (cluster #1 Of 2), Eukaryotic Eukaryotes 254 0.23 Binding ≤ 10μM
ADCY9-2-E Adenylate Cyclase Type IX (cluster #2 Of 2), Eukaryotic Eukaryotes 254 0.23 Binding ≤ 10μM
GIPR-1-E Gastric Inhibitory Polypeptide Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 28 0.26 Binding ≤ 10μM
GLP1R-1-E Glucagon-like Peptide Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 1000 0.21 Binding ≤ 10μM
GLP1R-1-E Glucagon-like Peptide Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 2536 0.20 Binding ≤ 10μM
GLR-1-E Glucagon Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 23 0.27 Binding ≤ 10μM
GLR-1-E Glucagon Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 47 0.26 Binding ≤ 10μM
GLR-1-E Glucagon Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 63 0.25 Binding ≤ 10μM
GIPR-1-E Gastric Inhibitory Polypeptide Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 1300 0.21 Functional ≤ 10μM
GLR-1-E Glucagon Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 21 0.27 Functional ≤ 10μM
GLR-1-E Glucagon Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 140 0.24 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) 5.77 12.44 -62.71 2 8 -1 111 562.609 11 ↓

Parameters Provided:

annotation.name = ADCY9_HUMAN
anotation.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 note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'ADCY9\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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