Attributes
UniProt ID
Protein Name
Isocitrate dehydrogenase cytoplasmic -specific ICDH
Ligand Name
(E)-3-(1-(5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)isoxazole-4-carbonyl)-3-methyl-1H-indol-4-yl)acrylic acid
DrugBank ID
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
BOOMBLZEOHXPPX-BQYQJAHWSA-N
SMILES
Cc1cn(c2c1c(ccc2)C=CC(=O)O)C(=O)c3c(noc3C(C)(C)F)c4c(cc(cc4Cl)Cl)Cl
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 7PJN
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Color Legend
Unassigned regionsLigand / hetero atomse7pjnA1e7pjnA2e7pjnB1e7pjnB2e7pjnC1e7pjnC2e7pjnD1e7pjnD2
ECOD domains from experimental PDB structures interacting with ligand DB18745
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| O75874 | DB18745 | 7SU | 7pjn | e7pjnA1 | A:106-286 |
| O75874 | DB18745 | 7SU | 7pjn | e7pjnA2 | A:3-105,A:287-412 |
| O75874 | DB18745 | 7SU | 7pjn | e7pjnB1 | B:106-286 |
| O75874 | DB18745 | 7SU | 7pjn | e7pjnB2 | B:2-105,B:287-411 |
| O75874 | DB18745 | 7SU | 7pjn | e7pjnC1 | C:3-105,C:287-415 |
| O75874 | DB18745 | 7SU | 7pjn | e7pjnC2 | C:106-286 |
| O75874 | DB18745 | 7SU | 7pjn | e7pjnD1 | D:106-286 |
| O75874 | DB18745 | 7SU | 7pjn | e7pjnD2 | D:2-105,D:287-413 |