Ligand name: (2-{[3-(4-{2-[(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzene-1-carbonyl)amino]ethyl}piperazine-1-carbonyl)phenyl]ethynyl}-5-methyl-1-benzofuran-3-yl)acetic acid
PDB ligand accession: R2A
DrugBank: n/a
PubChem: 155387719
ChEMBL: n/a
InChI Key: FKZRCFVPEMPOMA-UHFFFAOYSA-N
SMILES: Cc1ccc2c(c1)c(c(o2)C#Cc3cccc(c3)C(=O)NCCN4CCN(CC4)C(=O)c5cccc(c5)C#Cc6c(c7cc(ccc7o6)C)CC(=O)O)CC(=O)O
Drug action: n/a

ClassyFire chemical classification:

List of PDB structures and/or AlphaFold models with target protein F2WR39

PDB/AF Accession PyMOL script Experimental / Predicted Interacting ECOD domains ECOD X-group name LigPlot
6VLH Download Experimental e6vlhA1
e6vlhB1
Ribonuclease H-like
Ribonuclease H-like
LigPlot