UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: DNC004395 DNC004395

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SCYD-1-F Scytalone Dehydratase (cluster #1 Of 1), Fungal Fungi 6700 0.36 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) 4.35 10.74 -32.26 2 2 1 26 263.364 5 ↓
Mid Mid (pH 6-8) 4.35 10.38 -7.7 1 2 0 25 262.356 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-hydroxy-N-(3-phenylpropyl)benzamide 2-hydroxy-N-(3-phenylpropyl)benz…

Find On: PubMed — Wikipedia — Google

Vendors

And 9 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SCYD-1-F Scytalone Dehydratase (cluster #1 Of 1), Fungal Fungi 7 0.60 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) 3.94 6.71 -10.94 2 3 0 49 255.317 5 ↓
Hi High (pH 8-9.5) 3.94 7.72 -55.26 1 3 -1 52 254.309 5 ↓

Analogs

2047058
2047058

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(4-bromophenyl)ethyl]-5-fluoro-2-hydroxy-benzamide N-[(1R)-1-(4-bromophenyl)ethyl]-…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SCYD-1-F Scytalone Dehydratase (cluster #1 Of 1), Fungal Fungi 0 0.00 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) 4.53 6.68 -8.35 2 3 0 49 338.176 3 ↓
Ref Reference (pH 7) 4.05 3.6 -6.45 2 3 0 53 338.176 3 ↓
Hi High (pH 8-9.5) 4.05 4.36 -39.04 1 3 -1 56 337.168 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: DNC004386 DNC004386

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SCYD-1-F Scytalone Dehydratase (cluster #1 Of 1), Fungal Fungi 19 0.54 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) 3.84 10.09 -8.85 1 3 0 38 263.344 5 ↓

Analogs

39127902
39127902

Draw Identity 99% 90% 80% 70%

Popular Name: DNC004376 DNC004376

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SCYD-1-F Scytalone Dehydratase (cluster #1 Of 1), Fungal Fungi 9100 0.50 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) 2.43 2.97 -13.44 2 3 0 49 197.209 2 ↓
Hi High (pH 8-9.5) 2.43 4 -50.45 1 3 -1 52 196.201 2 ↓

Parameters Provided:

annotation.name = SCYD_MAGO7
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 'SCYD\\_MAGO7' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?annotation.name=SCYD_MAGO7&filter.purchasability=purchasable

Embed Link to Results