SEQ2FUN

BioLiP

PDB CCD ID: VUP
Number of entries in BioLiP: 1
Chemical formula: C11 H12 N6 O
InChI: InChI=1S/C11H12N6O/c1-3-17-8-4-6(2)13-5-7(8)14-11(17)9-10(12)16-18-15-9/h4-5H,3H2,1-2H3,(H2,12,16)
InChIKey: QHFQFSACHXZZDN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CCn1c2cc(ncc2nc1c3c(non3)N)C
ACDLabs 12.01n1onc(N)c1c2nc3c(n2CC)cc(nc3)C
CACTVS 3.385CCn1c2cc(C)ncc2nc1c3nonc3N
Name:4-(1-ethyl-6-methyl-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
ZINC: ZINC000095921243
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).