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BioLiP

PDB CCD ID: QUJ
Number of entries in BioLiP: 3
Chemical formula: C14 H16 N2 O3
InChI: InChI=1S/C14H16N2O3/c1-8(2)7-19-12-6-11(14(17)18)16-13-9(12)4-3-5-10(13)15/h3-6,8H,7,15H2,1-2H3,(H,17,18)
InChIKey: UQMUZAYVJKDBFB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5CC(C)COc1cc(nc2c1cccc2N)C(=O)O
CACTVS 3.385CC(C)COc1cc(nc2c(N)cccc12)C(O)=O
Name:8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid
ZINC: ZINC000222665511
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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