SEQ2FUN

BioLiP

PDB CCD ID: 7M5
Number of entries in BioLiP: 2
Chemical formula: C16 H11 N3
InChI: InChI=1S/C16H11N3/c1-2-7-14-13(6-1)18-16(12-5-3-9-17-11-12)15-8-4-10-19(14)15/h1-11H
InChIKey: YYLFSLFSCWVKLI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc2c(c1)nc(c3n2ccc3)c4cccnc4
CACTVS 3.385c1ccc2n3cccc3c(nc2c1)c4cccnc4
Name:4-pyridin-3-ylpyrrolo[1,2-a]quinoxaline
ChEMBL: CHEMBL3823966
ZINC: ZINC000203385475
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).