SEQ2FUN

BioLiP

PDB CCD ID: B58
Number of entries in BioLiP: 2
Chemical formula: C5 H6 N6
InChI: InChI=1S/C5H6N6/c6-4-2-3(9-1-8-2)5(7)11-10-4/h1H,(H2,6,10)(H2,7,11)(H,8,9)
InChIKey: UMLCZSAOYUCVKU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04n1nc(c2ncnc2c1N)N
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)c(nnc2N)N
CACTVS 3.341Nc1nnc(N)c2nc[nH]c12
Name:1H-imidazo[4,5-d]pyridazine-4,7-diamine
ChEMBL: CHEMBL566922
ZINC: ZINC000006057084
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).