SEQ2FUN

BioLiP

PDB CCD ID: A1BFQ
Number of entries in BioLiP: 1
Chemical formula: C7 H8 N4 O
InChI: InChI=1S/C7H8N4O/c1-4-5-3-8-9-7(12)6(5)11(2)10-4/h3H,1-2H3,(H,9,12)
InChIKey: OPCFDCSZKUXVME-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0Cc1c2cnnc(c2n(n1)C)O
CACTVS 3.385Cn1nc(C)c2cnnc(O)c12
ACDLabs 14.52Oc1nncc2c1n(C)nc2C
Name:1,3-dimethyl-1H-pyrazolo[3,4-d]pyridazin-7-ol
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).