ligandAMP

ligandAMP is a hypothetical, publicly accessible resource designed to catalog ligands that interact with AMP-binding proteins and enzymes. The platform centers on ligands that bind to adenosine monophosphate (AMP) binding pockets or participate in AMP-related catalytic cycles, spanning synthetic compounds, nucleotide analogs, and biologically relevant ligands.

Entries are organized around target proteins that contain AMP-binding domains, such as P-loop kinases, adenylate-forming enzymes, and AMP-activated protein kinase regulators. Each ligand entry links to structural context, experimental binding data when available, and cross-references to chemical and protein databases.

Data are sourced from peer-reviewed literature, structural repositories like the Protein Data Bank, and public chemical resources. For each ligand, fields include identifiers (PubChem CID, ChEBI), the target protein (UniProt), binding metrics (Kd, Ki, IC50) when reported, and the binding mode or pose from crystallography or modeling. Curators apply standardized naming and provenance tags to enable reliable comparisons.

The portal provides advanced search by ligand structure, substructure, target, or organism; a 3D visualizer for binding modes; download options for datasets; and an API for programmatic access to entries and metadata. Cross-links to PDB, UniProt, PubChem, and related AMP biology resources are offered.

ligandAMP is intended to assist researchers in drug discovery, enzymology, and structural biology by enabling exploration of AMP-binding pharmacology and ligand promiscuity. The resource emphasizes open licensing and community contributions, with ongoing curation and periodic releases to reflect new findings.