SEQ2FUN

BioLiP

PDB CCD ID: Z2M
Number of entries in BioLiP: 1
Chemical formula: C13 H11 N3 O
InChI: InChI=1S/C13H11N3O/c1-2-10(17-7-1)9-5-6-14-13-11(9)12(15-16-13)8-3-4-8/h1-2,5-8H,3-4H2,(H,14,15,16)
InChIKey: CVODVHVJEVVKKB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370C1CC1c2n[nH]c3nccc(c4occc4)c23
ACDLabs 12.01n3c(c2c(c1occc1)ccnc2n3)C4CC4
OpenEye OEToolkits 1.7.6c1cc(oc1)c2ccnc3c2c(n[nH]3)C4CC4
Name:3-cyclopropyl-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine
ZINC: ZINC000095920791
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).