SEQ2FUN

BioLiP

PDB CCD ID: A1Z
Number of entries in BioLiP: 3
Chemical formula: C14 H11 Cl N2 O4
InChI: InChI=1S/C14H11ClN2O4/c15-10-3-1-2-8(4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20/h1-6,18H,7H2,(H,17,21)(H,19,20)
InChIKey: JGRXMPYUTJLTKT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)CNC(=O)c1ncc(cc1O)c2cccc(Cl)c2
OpenEye OEToolkits 2.0.6c1cc(cc(c1)Cl)c2cc(c(nc2)C(=O)NCC(=O)O)O
Name:Vadadustat;
GSK128863
ChEMBL: CHEMBL3646221
DrugBank: DB12255
ZINC: ZINC000117532869
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).