SEQ2FUN

BioLiP

PDB CCD ID: 5E5
Number of entries in BioLiP: 1
Chemical formula: C12 H10 N4
InChI: InChI=1S/C12H10N4/c1-8-10-5-11(9-3-2-4-13-6-9)14-7-12(10)16-15-8/h2-7H,1H3,(H,15,16)
InChIKey: UQUBWQXJXQJXPB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1[nH]nc2cnc(cc12)c3cccnc3
ACDLabs 12.01c1c3c(nnc3cnc1c2cnccc2)C
OpenEye OEToolkits 1.9.2Cc1c2cc(ncc2n[nH]1)c3cccnc3
Name:3-methyl-5-(pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridine
ChEMBL: CHEMBL3634786
ZINC: ZINC000205263799
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).