Attributes
UniProt ID
Protein Name
Isocitrate dehydrogenase cytoplasmic -specific ICDH
Ligand Name
[2-[2-[[1-[4-[(1S)-1-[[5-fluoranyl-4-[(4S)-2-oxidanylidene-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]piperidin-4-yl]sulfamoyl]ethylsulfanylmethyl]-3-oxidanylidene-propyl]-trimethyl-azanium
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
LCIIBZXZTLMNNC-QFTSJRPJSA-N
SMILES
CC(C)C1COC(=O)N1c2c(cnc(n2)NC(C)c3ccc(cc3)N4CCC(CC4)NS(=O)(=O)CCSCC(C[N+](C)(C)C)C=O)F
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 8HB9
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Color Legend
Unassigned regionsLigand / hetero atomse8hb9AAA1e8hb9AAA2e8hb9BBB1e8hb9BBB2e8hb9CCC1e8hb9CCC2e8hb9DDD1e8hb9DDD2
ECOD domains from experimental PDB structures interacting with ligand R1R
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| O75874 | n/a | R1R | 8hb9 | e8hb9AAA1 | AAA:106-286 |
| O75874 | n/a | R1R | 8hb9 | e8hb9AAA2 | AAA:3-105,AAA:287-412 |
| O75874 | n/a | R1R | 8hb9 | e8hb9BBB1 | BBB:3-105,BBB:287-412 |
| O75874 | n/a | R1R | 8hb9 | e8hb9BBB2 | BBB:106-286 |
| O75874 | n/a | R1R | 8hb9 | e8hb9CCC1 | CCC:3-105,CCC:287-412 |
| O75874 | n/a | R1R | 8hb9 | e8hb9CCC2 | CCC:106-286 |
| O75874 | n/a | R1R | 8hb9 | e8hb9DDD1 | DDD:1-105,DDD:287-411 |
| O75874 | n/a | R1R | 8hb9 | e8hb9DDD2 | DDD:106-286 |