SEQ2FUN

BioLiP

PDB CCD ID: 2F6
Number of entries in BioLiP: 1
Chemical formula: C8 H10 N4
InChI: InChI=1S/C8H10N4/c1-6-7(5-12(2)11-6)8-3-4-9-10-8/h3-5H,1-2H3,(H,9,10)
InChIKey: LNJKDWJFZASOPC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n1n(cc(c1C)c2nncc2)C
CACTVS 3.385Cn1cc(c(C)n1)c2cc[nH]n2
OpenEye OEToolkits 1.9.2Cc1c(cn(n1)C)c2cc[nH]n2
Name:1',3'-dimethyl-1H,1'H-3,4'-bipyrazole
ChEMBL: CHEMBL3289430
ZINC: ZINC000004243627
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).