SEQ2FUN

BioLiP

PDB CCD ID: 7WH
Number of entries in BioLiP: 2
Chemical formula: C15 H14 N2 O5
InChI: InChI=1S/C15H14N2O5/c1-22-8-14(19)17-10-2-3-13(18)11(7-10)12-6-9(15(20)21)4-5-16-12/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21)
InChIKey: HHHINYOXTBYXCI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6COCC(=O)Nc1ccc(c(c1)c2cc(ccn2)C(=O)O)O
CACTVS 3.385COCC(=O)Nc1ccc(O)c(c1)c2cc(ccn2)C(O)=O
Name:2-[5-(2-methoxyethanoylamino)-2-oxidanyl-phenyl]pyridine-4-carboxylic acid
ChEMBL: CHEMBL3775380
ZINC: ZINC000263620509
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).