UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

3995890
3995890

Draw Identity 99% 90% 80% 70%

Popular Name: 1-Deoxynojirimycin 1-Deoxynojirimycin

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
FUCO-3-E Alpha-L-fucosidase 1 (cluster #3 Of 3), Eukaryotic Eukaryotes 80 0.90 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) -2.40 -8.74 -34.63 6 5 1 98 164.181 1 ↓

Analogs

5837575
5837575
5837577
5837577
13687194
13687194
26575647
26575647
2562357
2562357

Draw Identity 99% 90% 80% 70%

Popular Name: DFU DFU

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
FUCO-3-E Alpha-L-fucosidase 1 (cluster #3 Of 3), Eukaryotic Eukaryotes 5 1.16 Binding ≤ 10μM
FUCO-3-E Alpha-L-fucosidase 1 (cluster #3 Of 3), Eukaryotic Eukaryotes 6 1.15 Binding ≤ 10μM
FUCO2-1-E Alpha-L-fucosidase 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 10 1.12 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) -1.43 -8 -37.4 5 4 1 77 148.182 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Acetamido-1,2-dideoxynojirimycin 2-Acetamido-1,2-dideoxynojirimycin

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FUCO-3-E Alpha-L-fucosidase 1 (cluster #3 Of 3), Eukaryotic Eukaryotes 4000 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) -2.62 -7.19 -52.42 6 6 1 106 205.234 2 ↓

Analogs

1618046
1618046

Draw Identity 99% 90% 80% 70%

Popular Name: MFCD00133247 MFCD00133247

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
FUCO-3-E Alpha-L-fucosidase 1 (cluster #3 Of 3), Eukaryotic Eukaryotes 4700 0.68 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) -2.40 -8.83 -37.78 6 5 1 98 164.181 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-Piperidinediol, 2-amino-5-methyl-, (2R,3S,4R,5R)- (9CI) 3,4-Piperidinediol, 2-amino-5-me…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FUCO-3-E Alpha-L-fucosidase 1 (cluster #3 Of 3), Eukaryotic Eukaryotes 16 1.09 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) -1.20 -6.69 -41.01 6 4 1 80 147.198 0 ↓
Lo Low (pH 4.5-6) -1.20 -5.71 -36.47 6 4 1 83 147.198 0 ↓
Lo Low (pH 4.5-6) -1.20 -5.36 -126.15 7 4 2 85 148.206 0 ↓

Analogs

2585424
2585424

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4,5-Piperidinetriol, 2-methyl-, (2S,3S,4S,5R)- (9CI) 3,4,5-Piperidinetriol, 2-methyl-…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FUCO-3-E Alpha-L-fucosidase 1 (cluster #3 Of 3), Eukaryotic Eukaryotes 6 1.15 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) -1.43 -6.04 -44.32 5 4 1 77 148.182 0 ↓

Parameters Provided:

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

Permalink

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

Embed Link to Results