Sphingomyelin phosphodiesterase

Name And Classification

ID:  ALA2760

Type:  SINGLE PROTEIN

Synonyms:   3.1.4.12 | 3.1.4.3 | Acid sphingomyelinase | ASM | aSMase | SMPD1 | Sphingomyelin phosphodiesterase | Sphingomyelin phosphodiesterase, processed form | Synonyms=ASM

Organism:  Homo sapiens

Species Group:  Homo sapiens

Protein Target Classification:   Enzyme / Phosphodiesterase

Target Components

DescriptionRelationshipAccession
Sphingomyelin phosphodiesterasePROTEINP17405

Associated Recombinant Proteins

NameSpecification and purityExpression systemProtein labelActivityView Details

Associated Active Ligands

  1. Tetrahydrouridine
    ALA14464

    Name:
    {2-[Hydroxy-((E)-(2S,3R)-3-hydroxy-2-icosanoylamino-octadec-4-enyloxy)-phosphoryloxy]-ethyl}-trimethyl-ammonium

    Mol. Formula:
    C43H87N2O6P

    M.W.:
    759.15

    Type:
    Small molecule

    AlogP:
    11.34

    Polar Surface Area:
    107.92

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    40

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  2. Tetrahydrouridine
    ALA430132

    Name:
    [2-(5-Dimethylamino-naphthalene-1-sulfonylamino)-ethyl]-{2-[hydroxy-(3-hydroxy-2-icosanoylamino-octadec-4-enyloxy)-phosphoryloxy]-ethyl}-dimethyl-ammonium

    Mol. Formula:
    C56H102N4O8PS+

    M.W.:
    1022.49

    Type:
    Small molecule

    DETAILS
  3. Tetrahydrouridine
    ALA217153

    Name:
    Phosphoric acid 3-hydroxy-2-{6-[5-(2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-hexanoylamino}-octadec-4-enyl ester 6-(7-nitro-benzo[1,2,5]oxadiazol-4-ylamino)-hexyl ester

    Mol. Formula:
    C46H77N8O11PS

    M.W.:
    981.21

    Type:
    Small molecule

    AlogP:
    8.74

    Polar Surface Area:
    269.41

    HBA:
    14

    HBD:
    7

    #RO5 Violations:
    4

    #Rotatable Bonds:
    39

    Passes Ro3:
    N

    QED Weighted:
    0.01

    DETAILS
  4. Tetrahydrouridine
    ALA384395

    Name:
    Phosphoric acid 4-(5-dimethylamino-naphthalene-1-sulfonylamino)-butyl ester 3-hydroxy-2-{6-[5-(2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-hexanoylamino}-octadec-4-enyl ester

    Mol. Formula:
    C50H83N6O10PS2

    M.W.:
    1023.35

    Type:
    Small molecule

    DETAILS
  5. Tetrahydrouridine
    ALA109045

    Name:
    (2,4-Dihydroxy-5-methoxy-phenyl)-[2,4,6-trihydroxy-3-(3-methyl-but-2-enyl)-phenyl]-methanone

    Mol. Formula:
    C19H20O7

    M.W.:
    360.36

    Type:
    Small molecule

    AlogP:
    2.96

    Polar Surface Area:
    127.45

    HBA:
    7

    HBD:
    5

    #RO5 Violations:
    0

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  6. Tetrahydrouridine
    ALA320658

    Name:
    [4,6-Dihydroxy-3-methoxy-2-(3-methyl-but-2-enyl)-phenyl]-(2,4,6-trihydroxy-phenyl)-methanone

    Mol. Formula:
    C19H20O7

    M.W.:
    360.36

    Type:
    Small molecule

    AlogP:
    2.96

    Polar Surface Area:
    127.45

    HBA:
    7

    HBD:
    5

    #RO5 Violations:
    0

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  7. Tetrahydrouridine
    ALA107844

    Name:
    1,3,6-Trihydroxy-7-methoxy-2-(3-methyl-but-2-enyl)-xanthen-9-one

    Mol. Formula:
    C19H18O6

    M.W.:
    342.35

    Type:
    Small molecule

    AlogP:
    3.58

    Polar Surface Area:
    100.13

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    0

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  8. Tetrahydrouridine
    ALA110445

    Name:
    [4,6-Dihydroxy-3-methoxy-2-(3-methyl-but-2-enyl)-phenyl]-[2,4,6-trihydroxy-3-(3-methyl-but-2-enyl)-phenyl]-methanone

    Mol. Formula:
    C24H28O7

    M.W.:
    428.48

    Type:
    Small molecule

    AlogP:
    4.47

    Polar Surface Area:
    127.45

    HBA:
    7

    HBD:
    5

    #RO5 Violations:
    0

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  9. Tetrahydrouridine
    ALA323197

    Name:
    1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2-enyl)-xanthen-9-one

    Mol. Formula:
    C24H26O6

    M.W.:
    410.47

    Type:
    Small molecule

    AlogP:
    5.09

    Polar Surface Area:
    100.13

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  10. Tetrahydrouridine
    ALA110491

    Name:
    3,6,8-Trihydroxy-2-methoxy-1-(3-methyl-but-2-enyl)-xanthen-9-one

    Mol. Formula:
    C19H18O6

    M.W.:
    342.35

    Type:
    Small molecule

    AlogP:
    3.58

    Polar Surface Area:
    100.13

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    0

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS