SEQ2FUN

BioLiP

PDB CCD ID: A1I0Z
Number of entries in BioLiP: 1
Chemical formula: C21 H17 Cl N4 O
InChI: InChI=1S/C21H17ClN4O/c22-14-19(27)23-17-11-9-15(10-12-17)20-21(24-16-6-2-1-3-7-16)26-13-5-4-8-18(26)25-20/h1-13,24H,14H2,(H,23,27)
InChIKey: PWYSGULZGRXNHM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)Nc2c(nc3n2cccc3)c4ccc(cc4)NC(=O)CCl
CACTVS 3.385ClCC(=O)Nc1ccc(cc1)c2nc3ccccn3c2Nc4ccccc4
Name:2-chloranyl-~{N}-[4-(3-phenylazanylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanamide
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).