SEQ2FUN

BioLiP

PDB CCD ID: CU8
Number of entries in BioLiP: 4
Chemical formula: C14 H12 N4 O
InChI: InChI=1S/C14H12N4O/c1-9-3-2-4-10(7-9)12-5-6-16-14-11(13(15)19)8-17-18(12)14/h2-8H,1H3,(H2,15,19)
InChIKey: HNKGGVGQAVODNJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1cccc(c1)c2ccnc3n2ncc3C(=O)N
CACTVS 3.385Cc1cccc(c1)c2ccnc3n2ncc3C(N)=O
Name:7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
ChEMBL: CHEMBL4553089
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).