UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

33979259
33979259
33979260
33979260

Draw Identity 99% 90% 80% 70%

Popular Name: Xanthylic acid Xanthylic acid

Find On: PubMed — Wikipedia — Google

Vendors

And 3 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PYRF-1-F Orotidine Phosphate Decarboxylase (cluster #1 Of 1), Fungal Fungi 400 0.37 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) -2.39 -6.72 -194.45 3 13 -3 209 361.183 4 ↓
Mid Mid (pH 6-8) -2.39 -7.88 -94.52 4 13 -2 206 362.191 4 ↓
Lo Low (pH 4.5-6) -2.84 -5.84 -52.03 5 13 -1 203 363.199 4 ↓

Analogs

16990334
16990334

Draw Identity 99% 90% 80% 70%

Popular Name: 6-Azauridine-5'-monophosphate 6-Azauridine-5'-monophosphate

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q8T6J6-1-E Orotidine Phosphate Decarboxylase (cluster #1 Of 1), Eukaryotic Eukaryotes 1000 0.40 Binding ≤ 10μM
PYRF-1-F Orotidine Phosphate Decarboxylase (cluster #1 Of 1), Fungal Fungi 64 0.48 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) -2.97 -7 -146.58 3 12 -2 190 323.154 4 ↓

Parameters Provided:

annotation.name = PYRF_YEAST
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 'PYRF\\_YEAST' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

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

Embed Link to Results