SEQ2FUN

BioLiP

PDB CCD ID: QJI
Number of entries in BioLiP: 1
Chemical formula: C19 H19 Cl N4 O
InChI: InChI=1S/C19H19ClN4O/c20-15-3-1-2-4-16(15)23-19(25)17-11-22-18-6-5-14(12-24(17)18)13-7-9-21-10-8-13/h1-6,11-13,21H,7-10H2,(H,23,25)
InChIKey: DGSMEFWSLXFLQA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1ccc(c(c1)NC(=O)c2cnc3n2cc(cc3)C4CCNCC4)Cl
CACTVS 3.385Clc1ccccc1NC(=O)c2cnc3ccc(cn23)C4CCNCC4
Name:~{N}-(2-chlorophenyl)-6-piperidin-4-yl-imidazo[1,2-a]pyridine-3-carboxamide
ChEMBL: CHEMBL1198514
ZINC: ZINC000048998306
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).