SEQ2FUN

BioLiP

PDB CCD ID: 1QP
Number of entries in BioLiP: 1
Chemical formula: C10 H10 N2 O2
InChI: InChI=1S/C10H10N2O2/c1-2-14-10(13)8-7-11-12-6-4-3-5-9(8)12/h3-7H,2H2,1H3
InChIKey: IDHMFSBXNNIWCT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CCOC(=O)c1cnn2ccccc12
OpenEye OEToolkits 1.7.6CCOC(=O)c1cnn2c1cccc2
ACDLabs 12.01O=C(OCC)c1c2ccccn2nc1
Name:ethyl pyrazolo[1,5-a]pyridine-3-carboxylate
ChEMBL: CHEMBL2326880
ZINC: ZINC000004271746
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).