SEQ2FUN

BioLiP

PDB CCD ID: 5M7
Number of entries in BioLiP: 3
Chemical formula: C21 H19 Cl N2 O2
InChI: InChI=1S/C21H19ClN2O2/c22-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21(25)26)20(23-17)24-11-5-2-6-12-24/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,25,26)
InChIKey: URBVMCHIBNRDKB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1ccc(cc1)c2c3cc(ccc3nc(c2C(=O)O)N4CCCCC4)Cl
CACTVS 3.385OC(=O)c1c(nc2ccc(Cl)cc2c1c3ccccc3)N4CCCCC4
Name:6-chloranyl-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid
ChEMBL: CHEMBL3941588
ZINC: ZINC000205461076
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).