DrugDomain logoDrugDomain

Attributes

UniProt ID
O28480
Protein Name
Myo-inositol-1-phosphate synthase
Ligand Name
NICOTINAMIDE-ADENINE-DINUCLEOTIDE
DrugBank ID
DB14128
PDB Ligand Accession
NAD
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
BAWFJGJZGIEFAR-NNYOXOHSSA-N
SMILES
c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Mol*
Structure: 1U1I
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Color Legend
Unassigned regionsLigand / hetero atomse1u1iA1e1u1iA2e1u1iB1e1u1iB2e1u1iC1e1u1iC2e1u1iD1e1u1iD2
ECOD domains from experimental PDB structures interacting with ligand DB14128
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
O28480DB14128NAD1u1ie1u1iA1A:228-332
O28480DB14128NAD1u1ie1u1iA2A:1-227,A:333-392
O28480DB14128NAD1u1ie1u1iB1B:628-732
O28480DB14128NAD1u1ie1u1iB2B:401-627,B:733-792
O28480DB14128NAD1u1ie1u1iC1C:1028-1132
O28480DB14128NAD1u1ie1u1iC2C:801-1027,C:1133-1192
O28480DB14128NAD1u1ie1u1iD1D:1428-1532
O28480DB14128NAD1u1ie1u1iD2D:1201-1427,D:1533-1592
O28480DB14128NAD3qvse3qvsA1A:228-332
O28480DB14128NAD3qvse3qvsA2A:1-227,A:333-392
O28480DB14128NAD3qvwe3qvwA1A:228-332
O28480DB14128NAD3qvwe3qvwA2A:1-227,A:333-392
O28480DB14128NAD3qvxe3qvxA1A:228-332
O28480DB14128NAD3qvxe3qvxA2A:1-227,A:333-392
O28480DB14128NAD3qw2e3qw2A1A:228-332
O28480DB14128NAD3qw2e3qw2A2A:1-227,A:333-392
O28480DB14128NAD3qw2e3qw2B1B:228-332
O28480DB14128NAD3qw2e3qw2B2B:1-227,B:333-392
O28480DB14128NAD3qw2e3qw2C1C:228-332
O28480DB14128NAD3qw2e3qw2C2C:1-227,C:333-392
O28480DB14128NAD3qw2e3qw2D1D:228-332
O28480DB14128NAD3qw2e3qw2D2D:1-227,D:333-392