SEQ2FUN

BioLiP

PDB CCD ID: 2N9
Number of entries in BioLiP: 1
Chemical formula: C12 H12 N2 O2
InChI: InChI=1S/C12H12N2O2/c1-2-16-12(15)9-7-14-10-6-4-3-5-8(10)11(9)13/h3-7H,2H2,1H3,(H2,13,14)
InChIKey: IEJDBXDYSPBDTO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 1.7.6		CCOC(=O)c1cnc2ccccc2c1N
ACDLabs 12.01O=C(OCC)c1c(c2ccccc2nc1)N
Name:ethyl 4-aminoquinoline-3-carboxylate
ZINC: ZINC000006656163
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).