UCSF

ZINC02585424

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 10 Yes

Popular Name: DFU DFU

Find On: PubMed — Wikipedia — Google

CAS Numbers: 210174-73-5 , 99212-30-3 , [210174-73-5] , [99212-30-3]

Download: MOL2 SDF SMILES Flexibase

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 ↓

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
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FUCO_BOVIN Q2KIM0 Alpha-L-fucosidase 1, Bovin 1.7 1.23 Binding ≤ 1μM
FUCO2_HUMAN Q9BTY2 Alpha-L-fucosidase 2, Human 9.8 1.12 Binding ≤ 1μM
FUCO_HUMAN P04066 Alpha-L-fucosidase I, Human 10 1.12 Binding ≤ 1μM
FUCO_BOVIN Q2KIM0 Alpha-L-fucosidase 1, Bovin 1.7 1.23 Binding ≤ 10μM
FUCO2_HUMAN Q9BTY2 Alpha-L-fucosidase 2, Human 9.8 1.12 Binding ≤ 10μM
FUCO_HUMAN P04066 Alpha-L-fucosidase I, Human 10 1.12 Binding ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )