UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6776873
6776873
14257904
14257904

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propionamide N-[4-chloro-3-(5-methyl-1,3-benz…

Find On: PubMed — Wikipedia — Google

Vendors

And 5 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PLCB-1-E 1-acylglycerol-3-phosphate O-acyltransferase Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 1500 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) 4.74 6.84 -17.07 1 4 0 55 314.772 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-chloro-3-(5-methylbenzooxazol-2-yl)-phenyl]acetamide N-[4-chloro-3-(5-methylbenzooxaz…

Find On: PubMed — Wikipedia — Google

Vendors

And 5 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PLCB-1-E 1-acylglycerol-3-phosphate O-acyltransferase Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 2500 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) 3.90 6.01 -17.12 1 4 0 55 300.745 2 ↓

Parameters Provided:

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

Permalink

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

Embed Link to Results