SEQ2FUN

BioLiP

PDB CCD ID: 7IB
Number of entries in BioLiP: 2
Chemical formula: C14 H14 N2 O4
InChI: InChI=1S/C14H14N2O4/c15-10-6-4-8(2-1-3-12(17)18)9-5-7-11(14(19)20)16-13(9)10/h4-7H,1-3,15H2,(H,17,18)(H,19,20)
InChIKey: AHGXWTCIRIDJEN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1ccc(CCCC(O)=O)c2ccc(nc12)C(O)=O
OpenEye OEToolkits 2.0.7c1cc(c2c(c1CCCC(=O)O)ccc(n2)C(=O)O)N
Name:8-azanyl-5-(4-oxidanyl-4-oxidanylidene-butyl)quinoline-2-carboxylic acid
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).