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BioLiP

PDB CCD ID: YME
Number of entries in BioLiP: 2
Chemical formula: C16 H10 Cl N O3
InChI: InChI=1S/C16H10ClNO3/c17-12-6-3-5-9-11(16(20)21)8-13(18-15(9)12)10-4-1-2-7-14(10)19/h1-8,19H,(H,20,21)
InChIKey: KVFZPSDQSZKXFB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)c1cc(nc2c(Cl)cccc12)c1ccccc1O
OpenEye OEToolkits 2.0.7c1ccc(c(c1)c2cc(c3cccc(c3n2)Cl)C(=O)O)O
CACTVS 3.385OC(=O)c1cc(nc2c(Cl)cccc12)c3ccccc3O
Name:(2P)-8-chloro-2-(2-hydroxyphenyl)quinoline-4-carboxylic 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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