UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36885004
36885004
37993347
37993347

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-Nitrobenzoyl)glycine N-(4-Nitrobenzoyl)glycine

Find On: PubMed — Wikipedia — Google

Vendors

And 18 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FYN-4-E Tyrosine-protein Kinase FYN (cluster #4 Of 5), Eukaryotic Eukaryotes 240 0.58 Binding ≤ 10μM
LCK-3-E Tyrosine-protein Kinase LCK (cluster #3 Of 4), Eukaryotic Eukaryotes 290 0.57 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) -0.58 4.35 -39.27 1 7 -1 115 223.164 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-Hydroxycoumarin-4-acetic acid 7-Hydroxycoumarin-4-acetic acid

Find On: PubMed — Wikipedia — Google

Vendors

And 27 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ALDR-1-E Aldose Reductase (cluster #1 Of 5), Eukaryotic Eukaryotes 150 0.60 Binding ≤ 10μM
FYN-4-E Tyrosine-protein Kinase FYN (cluster #4 Of 5), Eukaryotic Eukaryotes 150 0.60 Binding ≤ 10μM
LCK-3-E Tyrosine-protein Kinase LCK (cluster #3 Of 4), Eukaryotic Eukaryotes 35 0.65 Binding ≤ 10μM
P85A-2-E PI3-kinase P85-alpha Subunit (cluster #2 Of 2), Eukaryotic Eukaryotes 9300 0.44 Binding ≤ 10μM
P85B-2-E PI3-kinase P85-beta Subunit (cluster #2 Of 2), Eukaryotic Eukaryotes 9300 0.44 Binding ≤ 10μM
PLCG1-1-E Phospholipase C-gamma-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 4900 0.46 Binding ≤ 10μM
PLCG2-2-E Phospholipase C-gamma-2 (cluster #2 Of 2), Eukaryotic Eukaryotes 4900 0.46 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) 0.86 3.47 -46.37 1 5 -1 91 219.172 2 ↓

Analogs

5784598
5784598

Draw Identity 99% 90% 80% 70%

Popular Name: ROSMARINIC ACID ROSMARINIC ACID

Find On: PubMed — Wikipedia — Google

Vendors

And 11 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ALDR-1-E Aldose Reductase (cluster #1 Of 5), Eukaryotic Eukaryotes 3910 0.29 Binding ≤ 10μM
FYN-4-E Tyrosine-protein Kinase FYN (cluster #4 Of 5), Eukaryotic Eukaryotes 7500 0.28 Binding ≤ 10μM
Q7ZJM1-1-V Human Immunodeficiency Virus Type 1 Integrase (cluster #1 Of 6), Viral Viruses 9000 0.27 Binding ≤ 10μM
Z50594-1-O Mus Musculus (cluster #1 Of 9), Other Other 600 0.34 Functional ≤ 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) 1.63 2.27 -57.65 4 8 -1 147 359.31 7 ↓

Analogs

44199139
44199139

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-4,5-dimethoxybenzoic acid 2-bromo-4,5-dimethoxybenzoic acid

Find On: PubMed — Wikipedia — Google

Vendors

And 44 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FYN-4-E Tyrosine-protein Kinase FYN (cluster #4 Of 5), Eukaryotic Eukaryotes 500 0.63 Binding ≤ 10μM
LCK-3-E Tyrosine-protein Kinase LCK (cluster #3 Of 4), Eukaryotic Eukaryotes 240 0.66 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) 1.89 0.41 -47.06 0 4 -1 58 260.063 3 ↓

Parameters Provided:

target.name = FYN-4-E
target.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 activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'FYN-4-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=FYN-4-E&target.type=B10&filter.purchasability=purchasable

Embed Link to Results