Attributes
UniProt ID
Protein Name
ATP-dependent Clp protease proteolytic subunit 2
Ligand Name
4-[1-[3-[4-[(4-fluoranyl-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-quinazolin-7-yl]oxypropyl]piperidin-4-yl]benzamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
ZUKPQXRSZJTISJ-UHFFFAOYSA-N
SMILES
Cc1cc2c([nH]1)ccc(c2F)Oc3c4cc(c(cc4ncn3)OCCCN5CCC(CC5)c6ccc(cc6)C(=O)N)OC
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 7X8X
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Color Legend
Unassigned regionsLigand / hetero atomse7x8xA1e7x8xB1e7x8xC1e7x8xD1e7x8xE1e7x8xF1e7x8xG1e7x8xH1e7x8xI1e7x8xJ1e7x8xK1e7x8xL1e7x8xM1e7x8xN1e7x8xO1e7x8xP1e7x8xQ1e7x8xR1e7x8xS1e7x8xT1e7x8xU1e7x8xV1e7x8xW1e7x8xX1e7x8xY1e7x8xZ1e7x8xa1e7x8xb1
ECOD domains from experimental PDB structures interacting with ligand AI4
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P9WPC2 | n/a | AI4 | 7x8x | e7x8xA1 | A:15-208 |
| P9WPC2 | n/a | AI4 | 7x8x | e7x8xC1 | C:15-210 |
| P9WPC2 | n/a | AI4 | 7x8x | e7x8xE1 | E:15-207 |
| P9WPC2 | n/a | AI4 | 7x8x | e7x8xF1 | F:15-210 |
| P9WPC2 | n/a | AI4 | 7x8x | e7x8xH1 | H:15-210 |
| P9WPC2 | n/a | AI4 | 7x8x | e7x8xJ1 | J:14-208 |
| P9WPC2 | n/a | AI4 | 7x8x | e7x8xL1 | L:15-207 |
| P9WPC2 | n/a | AI4 | 7x8x | e7x8xO1 | O:15-208 |
| P9WPC2 | n/a | AI4 | 7x8x | e7x8xQ1 | Q:15-210 |
| P9WPC2 | n/a | AI4 | 7x8x | e7x8xS1 | S:15-210 |
| P9WPC2 | n/a | AI4 | 7x8x | e7x8xT1 | T:15-210 |
| P9WPC2 | n/a | AI4 | 7x8x | e7x8xV1 | V:14-208 |
| P9WPC2 | n/a | AI4 | 7x8x | e7x8xX1 | X:15-207 |
| P9WPC2 | n/a | AI4 | 7x8x | e7x8xa1 | a:15-207 |