UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: APC-366 APC-366

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TRYB1-1-E Tryptase Beta-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 330 0.28 Binding ≤ 10μM
TRYB1-1-E Tryptase Beta-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 840 0.27 Binding ≤ 10μM
TRYD-1-E Tryptase Delta (cluster #1 Of 1), Eukaryotic Eukaryotes 840 0.27 Binding ≤ 10μM
TRYG1-1-E Tryptase Gamma (cluster #1 Of 1), Eukaryotic Eukaryotes 840 0.27 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) 0.99 -8.8 -57.03 9 10 1 176 441.512 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Babim Babim

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 100 0.39 Binding ≤ 10μM
TRYB1-1-E Tryptase Beta-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 140 0.38 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) -0.18 1.82 -81.71 10 8 2 161 334.387 4 ↓
Lo Low (pH 4.5-6) -0.18 2.23 -145.96 11 8 3 162 335.395 4 ↓

Parameters Provided:

annotation.name = TRYB1_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 'TRYB1\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?annotation.name=TRYB1_HUMAN&filter.purchasability=purchasable

Embed Link to Results