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BioLiP

PDB CCD ID: U5Q
Number of entries in BioLiP: 2
Chemical formula: C17 H13 N O3
InChI: InChI=1S/C17H13NO3/c1-10-4-6-14-12(3-2-8-18-14)16(10)11-5-7-15(19)13(9-11)17(20)21/h2-9,19H,1H3,(H,20,21)
InChIKey: BPSYEVVQJDPPAQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccc2c(c1c3ccc(c(c3)C(=O)O)O)cccn2
ACDLabs 12.01O=C(O)c1cc(ccc1O)c1c(C)ccc2ncccc12
CACTVS 3.385Cc1ccc2ncccc2c1c3ccc(O)c(c3)C(O)=O
Name:(5P)-2-hydroxy-5-(6-methylquinolin-5-yl)benzoic 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)(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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