SEQ2FUN

BioLiP

PDB CCD ID: VOC
Number of entries in BioLiP: 1
Chemical formula: C16 H16 N4 O2
InChI: InChI=1S/C16H16N4O2/c1-2-10-4-3-5-11-14(10)18-19-15(11)16(21)20-7-6-13-12(8-20)17-9-22-13/h3-5,9H,2,6-8H2,1H3,(H,18,19)
InChIKey: JCOAMLYFOYJAMQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCc1cccc2c([nH]nc12)C(=O)N3CCc4ocnc4C3
OpenEye OEToolkits 2.0.7CCc1cccc2c1n[nH]c2C(=O)N3CCc4c(nco4)C3
Name:6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl-(7-ethyl-2H-indazol-3-yl)methanone
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).