DrugDomain logoDrugDomain

Attributes

UniProt ID
O53611
Protein Name
Isocitrate dehydrogenase 2
Ligand Name
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
DrugBank ID
DB03461
PDB Ligand Accession
NAP
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
XJLXINKUBYWONI-NNYOXOHSSA-N
SMILES
c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)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: 5KVU
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Color Legend
Unassigned regionsLigand / hetero atomse5kvuA1e5kvuA2e5kvuA3e5kvuB1e5kvuB2e5kvuB3e5kvuC1e5kvuC2e5kvuC3e5kvuD1e5kvuD2e5kvuD3
ECOD domains from experimental PDB structures interacting with ligand DB03461
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
O53611DB03461NAP5kvue5kvuA1A:403-564
O53611DB03461NAP5kvue5kvuA2A:5-161,A:565-743
O53611DB03461NAP5kvue5kvuA3A:162-402
O53611DB03461NAP5kvue5kvuB1B:403-564
O53611DB03461NAP5kvue5kvuB2B:6-161,B:565-743
O53611DB03461NAP5kvue5kvuB3B:162-402
O53611DB03461NAP5kvue5kvuC1C:403-564
O53611DB03461NAP5kvue5kvuC2C:162-402
O53611DB03461NAP5kvue5kvuC3C:5-161,C:565-743
O53611DB03461NAP5kvue5kvuD1D:5-161,D:565-742
O53611DB03461NAP5kvue5kvuD2D:162-402
O53611DB03461NAP5kvue5kvuD3D:403-564