SEQ2FUN

BioLiP

PDB CCD ID: ODH
Number of entries in BioLiP: 1
Chemical formula: C14 H11 N3 O2
InChI: InChI=1S/C14H11N3O2/c18-14(17-9-11-2-1-7-19-11)10-3-4-12-13(8-10)16-6-5-15-12/h1-8H,9H2,(H,17,18)
InChIKey: HNDVFGAJLBLXDW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(NCc1occc1)c3cc2nccnc2cc3
OpenEye OEToolkits 1.7.6c1cc(oc1)CNC(=O)c2ccc3c(c2)nccn3
CACTVS 3.370O=C(NCc1occc1)c2ccc3nccnc3c2
Name:N-(furan-2-ylmethyl)quinoxaline-6-carboxamide
ChEMBL: CHEMBL1408855
ZINC: ZINC000004869926
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).