UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-{[2-(4-chloro-3-methylphenyl)-2-oxoethyl]thio}-6-oxo-4-(2-thienyl)-1,6-dihydropyrimidine-5-carbonitrile 2-{[2-(4-chloro-3-methylphenyl)-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SERPH-1-E Collagen-binding Protein 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 6300 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) 4.95 7.66 -41.38 0 5 -1 90 400.892 5 ↓
Mid Mid (pH 6-8) 4.95 -1.63 -11.03 1 5 0 86 401.9 5 ↓

Analogs

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Popular Name: methyl 6-chloro-2-oxo-2,3-dihydro-1,2lambda~4~,3-benzodithiazole-4-carboxylate methyl 6-chloro-2-oxo-2,3-dihydr…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SERPH-1-E Collagen-binding Protein 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 3100 0.51 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) 2.89 3.99 -10.44 1 4 0 55 263.727 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 6-chloro-2-oxo-2,3-dihydro-1,2lambda~4~,3-benzodithiazole-4-carboxylate methyl 6-chloro-2-oxo-2,3-dihydr…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SERPH-1-E Collagen-binding Protein 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 3100 0.51 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) 2.89 -2.15 -10.22 1 4 0 55 263.727 2 ↓

Parameters Provided:

annotation.name = SERPH_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 'SERPH\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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