Ligand name: 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID
PDB ligand accession: LYA
DrugBank: DB00642
PubChem: 446556;5288715;135410875;
ChEMBL: CHEMBL225072
InChI Key: WBXPDJSOTKVWSJ-ZDUSSCGKSA-N
SMILES: c1cc(ccc1CCc2c[nH]c3c2C(=O)N=C(N3)N)C(=O)NC(CCC(=O)O)C(=O)O

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of proteins that are targets for DB00642

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P14207_LYA	P14207	n/a
2	P67044_LYA	P67044	n/a
3	P41440_LYA	P41440	n/a
4	Q94C74_LYA	Q94C74	n/a
5	P04818_LYA	P04818	inhibitor
6	A7ASX7_LYA	A7ASX7	n/a
7	P00374_LYA	P00374	inhibitor
8	O76290_LYA	O76290	n/a
9	P9WNX1_LYA	P9WNX1	n/a
10	P22102_LYA	P22102	inhibitor
11	P31939_LYA	P31939	inhibitor