SEQ2FUN

BioLiP

PDB CCD ID: 5M8
Number of entries in BioLiP: 20
Chemical formula: C17 H12 Cl N O2
InChI: InChI=1S/C17H12ClNO2/c1-10-15(17(20)21)16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-10/h2-9H,1H3,(H,20,21)
InChIKey: DTGFDMHLQGULMA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1nc2ccc(Cl)cc2c(c3ccccc3)c1C(O)=O
OpenEye OEToolkits 2.0.4Cc1c(c(c2cc(ccc2n1)Cl)c3ccccc3)C(=O)O
Name:6-chloranyl-2-methyl-4-phenyl-quinoline-3-carboxylic acid
ChEMBL: CHEMBL1738980
ZINC: ZINC000000243048
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).