SEQ2FUN

BioLiP

PDB CCD ID: J36
Number of entries in BioLiP: 2
Chemical formula: C18 H13 N3 O
InChI: InChI=1S/C18H13N3O/c22-18-14-10-19-7-5-11(14)9-16-17-13(6-8-21(16)18)12-3-1-2-4-15(12)20-17/h1-5,7,9-10,20H,6,8H2
InChIKey: BGFQUYBVDVRJSP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)c3c([nH]2)C4=Cc5ccncc5C(=O)N4CC3
CACTVS 3.385O=C1N2CCc3c([nH]c4ccccc34)C2=Cc5ccncc15
Name:Parvine
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).