SEQ2FUN

BioLiP

PDB CCD ID: KKP
Number of entries in BioLiP: 2
Chemical formula: C14 H12 N4 O2
InChI: InChI=1S/C14H12N4O2/c1-15-14(20)10-8-16-18-12(19)7-11(17-13(10)18)9-5-3-2-4-6-9/h2-8,19H,1H3,(H,15,20)
InChIKey: RUSORFYZKCLNDR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CNC(=O)c1cnn2c1nc(cc2O)c3ccccc3
ACDLabs 12.01c3c(c2cc(O)n1c(c(cn1)C(NC)=O)n2)cccc3
CACTVS 3.385CNC(=O)c1cnn2c(O)cc(nc12)c3ccccc3
Name:7-hydroxy-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
ChEMBL: CHEMBL4085628
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).