Results

Ligand ID: CP0

Drugbank ID:
DB00762
(Irinotecan)

Indication:
For the treatment of metastatic colorectal cancer (first-line therapy when administered with 5-fluorouracil and leucovorin). Also used in combination with cisplatin for the treatment of extensive small cell lung cancer. Irinotecan is currently under investigation for the treatment of metastatic or recurrent cervical cancer. Also used in combination with fluorouracil and leucovorin for the treatment of patients with metastatic adenocarcinoma of the pancreas after disease progression following gemcitabine-based therapy.

Get human targets for CP0 in PDB (known and potential targets)
RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'CP0'
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1) User may click on the DrReposER ID (the second column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera through AutoDock Vina.

	DrReposER ID / Desc.	Hit PDBID	Hit Macromolecule	Res. Matches	View	Interface	RMSD	Seq. Identity (%)	HETATM	Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1U65_A_CP0A1000_1 (ACETYLCHOLINESTERASE)	2ozk	URIDYLATE-SPECIFIC ENDORIBONUCLEASE (SARSr-CoV)	5 / 11		TYR C 230 GLN C 309 LEU C 299 ASP C 301 HIS C 234	1.57A	21.51	None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1U65_A_CP0A1000_1 (ACETYLCHOLINESTERASE)	3ebn	REPLICASE POLYPROTEIN 1AB (SARSr-CoV)	5 / 11		TYR A 239 TYR A 237 GLU C 270 LEU D 287 ASP D 289	1.79A	11.05	None