UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: L-168,049 L-168,049

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GLR-2-E Glucagon Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 37 0.36 Binding ≤ 10μM
MK14-1-E MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic Eukaryotes 1440 0.28 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) 6.98 13.52 -6.47 1 3 0 38 467.794 6 ↓
Lo Low (pH 4.5-6) 6.98 14 -39.15 2 3 1 39 468.802 6 ↓

Analogs

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Popular Name: 3-[4-[[[4-(4-chlorophenyl)thiazol-2-yl]-[4-(trifluoromethyl)phenyl]-amino]methyl]benzoyl]aminopropan 3-[4-[[[4-(4-chlorophenyl)thiazo…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GIPR-1-E Gastric Inhibitory Polypeptide Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 990 0.22 Binding ≤ 10μM
GLR-2-E Glucagon Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 648 0.23 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) 6.15 1.76 -56.97 1 6 -1 85 558.989 10 ↓

Parameters Provided:

annotation.name = GLR_MOUSE
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 'GLR\\_MOUSE' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?annotation.name=GLR_MOUSE&filter.purchasability=purchasable

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