SEQ2FUN

BioLiP

PDB CCD ID: FRZ
Number of entries in BioLiP: 3
Chemical formula: C18 H13 N7
InChI: InChI=1S/C18H13N7/c19-17-12-10-13(20-22-18(12)23-21-17)15-14-8-4-5-9-25(14)24-16(15)11-6-2-1-3-7-11/h1-10H,(H3,19,21,22,23)
InChIKey: XVECMUKVOMUNLE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)c2c(c3ccccn3n2)c4cc5c(n[nH]c5nn4)N
CACTVS 3.341Nc1n[nH]c2nnc(cc12)c3c4ccccn4nc3c5ccccc5
ACDLabs 10.04n1nc5c(cc1c3c4ccccn4nc3c2ccccc2)c(nn5)N
Name:5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE;
FR180204
ChEMBL: CHEMBL259551
DrugBank: DB07794
ZINC: ZINC000028565323
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).