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BioLiP

PDB CCD ID: AEQ
Number of entries in BioLiP: 1
Chemical formula: C14 H17 N O3
InChI: InChI=1S/C14H17NO3/c1-3-13(16)15-8-4-5-10-9-11(14(17)18-2)6-7-12(10)15/h6-7,9H,3-5,8H2,1-2H3
InChIKey: BXTMIVXDDUNPOP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCC(=O)N1CCCc2c1ccc(c2)C(=O)OC
CACTVS 3.385CCC(=O)N1CCCc2cc(ccc12)C(=O)OC
Name:methyl 1-propanoyl-3,4-dihydro-2~{H}-quinoline-6-carboxylate
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)(download the PDF file).
  • 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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