SEQ2FUN

BioLiP

PDB CCD ID: 2JK
Number of entries in BioLiP: 2
Chemical formula: C12 H11 N O3
InChI: InChI=1S/C12H11NO3/c1-6-3-7(2)11-8(4-6)13-9(12(15)16)5-10(11)14/h3-5H,1-2H3,(H,13,14)(H,15,16)
InChIKey: JLHAMAZZACUPTQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)c1nc2cc(cc(c2c(O)c1)C)C
OpenEye OEToolkits 1.7.6Cc1cc(c2c(c1)nc(cc2O)C(=O)O)C
CACTVS 3.385Cc1cc(C)c2c(O)cc(nc2c1)C(O)=O
Name:4-hydroxy-5,7-dimethylquinoline-2-carboxylic acid
ChEMBL: CHEMBL416006
ZINC: ZINC000000025331
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).