SEQ2FUN

BioLiP

PDB CCD ID: 4KA
Number of entries in BioLiP: 2
Chemical formula: C5 H6 N4
InChI: InChI=1S/C5H6N4/c1-3-5-4(8-7-3)2-6-9-5/h2H,1H3,(H,6,9)(H,7,8)
InChIKey: KRAKREBEXWCQMF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Cc1n[nH]c2c[nH]nc12
OpenEye OEToolkits 1.7.6Cc1c2c(c[nH]n2)[nH]n1
ACDLabs 12.01n1ncc2c1c(nn2)C
Name:3-methyl-1,5-dihydropyrazolo[4,3-c]pyrazole
ChEMBL: CHEMBL1599242
ZINC: ZINC000013119669
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).