SEQ2FUN

BioLiP

PDB CCD ID: A1IJP
Number of entries in BioLiP: 0
Chemical formula: C18 H16 N2 O2
InChI: InChI=1S/C18H16N2O2/c19-15-10-8-13(7-6-12-4-2-1-3-5-12)14-9-11-16(18(21)22)20-17(14)15/h1-5,8-11H,6-7,19H2,(H,21,22)
InChIKey: RNGMWECRQNOCEN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)CCc2ccc(c3c2ccc(n3)C(=O)O)N
CACTVS 3.385Nc1ccc(CCc2ccccc2)c3ccc(nc13)C(O)=O
Name:8-azanyl-5-(2-phenylethyl)quinoline-2-carbaldehyde
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).