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BioLiP

PDB CCD ID: A1L2L
Number of entries in BioLiP: 1
Chemical formula: C16 H16 N2 O6
InChI: InChI=1S/C16H16N2O6/c19-12(20)7-17-15(22)13-14(21)10-3-1-2-4-11(10)18(16(13)23)24-8-9-5-6-9/h1-4,9,23H,5-8H2,(H,17,22)(H,19,20)
InChIKey: UWIIFTJFUAMASV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)C(=O)C(=C(N2OCC3CC3)O)C(=O)NCC(=O)O
CACTVS 3.385OC(=O)CNC(=O)C1=C(O)N(OCC2CC2)c3ccccc3C1=O
Name:2-[[1-(cyclopropylmethoxy)-2-oxidanyl-4-oxidanylidene-quinolin-3-yl]carbonylamino]ethanoic acid
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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