SEQ2FUN

BioLiP

PDB CCD ID: IYK
Number of entries in BioLiP: 4
Chemical formula: C19 H15 Cl N4 O
InChI: InChI=1S/C19H15ClN4O/c1-24-11-16(13-7-3-2-4-8-13)21-17(24)12-25-19-18(20)22-14-9-5-6-10-15(14)23-19/h2-11H,12H2,1H3
InChIKey: HUEYKHXLAUPAGR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cn1cc(nc1COc2nc3ccccc3nc2Cl)c4ccccc4
ACDLabs 12.01Cn1cc(nc1COc1nc2ccccc2nc1Cl)c1ccccc1
OpenEye OEToolkits 2.0.7Cn1cc(nc1COc2c(nc3ccccc3n2)Cl)c4ccccc4
Name:2-chloro-3-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]quinoxaline
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).