DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Isocitrate dehydrogenase cytoplasmic -specific ICDH
Ligand Name
(5aS,6S,8S,9aS)-2-(benzenecarbonyl)-6-methyl-7-oxo-9a-phenyl-4,5,5a,6,7,8,9,9a-octahydro-2H-benzo[g]indazole-8-carbonitrile
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
NFNOOTFITPQOPV-OVTRCYTESA-N
SMILES
CC1C2CCc3cn(nc3C2(CC(C1=O)C#N)c4ccccc4)C(=O)c5ccccc5
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 6BL0
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Color Legend
Unassigned regionsLigand / hetero atomse6bl0A1e6bl0A2e6bl0B1e6bl0B2e6bl0C1e6bl0C2
ECOD domains from experimental PDB structures interacting with ligand DWJ
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
O75874n/aDWJ6bl0e6bl0A2A:3-105,A:287-418