SEQ2FUN

BioLiP

PDB CCD ID: 723
Number of entries in BioLiP: 7
Chemical formula: C17 H12 Cl N O3
InChI: InChI=1S/C17H12ClNO3/c18-11-6-7-14-12(8-11)16(10-4-2-1-3-5-10)13(9-15(20)21)17(22)19-14/h1-8H,9H2,(H,19,22)(H,20,21)
InChIKey: SHDUUQWYFNJIAG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc(cc1)C2=C(C(=O)Nc3c2cc(cc3)Cl)CC(=O)O
CACTVS 3.352OC(=O)CC1=C(c2ccccc2)c3cc(Cl)ccc3NC1=O
Name:(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)acetic acid
ChEMBL: CHEMBL1230532
ZINC: ZINC000009008355
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).