SEQ2FUN

BioLiP

PDB CCD ID: SCF
Number of entries in BioLiP: 1
Chemical formula: C18 H14 F N5
InChI: InChI=1S/C18H14FN5/c19-15-4-2-1-3-14(15)16-11-18(24-17(23-16)7-10-22-24)21-12-13-5-8-20-9-6-13/h1-11,21H,12H2
InChIKey: ZAIYYXVHGBMLEC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Fc4ccccc4c2nc1ccnn1c(c2)NCc3ccncc3
CACTVS 3.341Fc1ccccc1c2cc(NCc3ccncc3)n4nccc4n2
OpenEye OEToolkits 1.5.0c1ccc(c(c1)c2cc(n3c(n2)ccn3)NCc4ccncc4)F
Name:5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
DrugBank: DB08534
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).