Attributes
UniProt ID
Protein Name
Isocitrate dehydrogenase cytoplasmic -specific ICDH
Ligand Name
3-[(6aS,7S,9S,10aS)-9-cyano-7-methyl-8-oxo-2-(phenylamino)-6,6a,7,8,9,10-hexahydrobenzo[h]quinazolin-10a(5H)-yl]benzoic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
MJZJSVVSZUVNQP-RIMKCHMMSA-N
SMILES
CC1C2CCc3cnc(nc3C2(CC(C1=O)C#N)c4cccc(c4)C(=O)O)Nc5ccccc5
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 6BL2
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Color Legend
Unassigned regionsLigand / hetero atomse6bl2A1e6bl2A2e6bl2B1e6bl2B2e6bl2C1e6bl2C2
ECOD domains from experimental PDB structures interacting with ligand DWS