SEQ2FUN

BioLiP

PDB CCD ID: LHM
Number of entries in BioLiP: 1
Chemical formula: C15 H16 F N3 O
InChI: InChI=1S/C15H16FN3O/c16-12-6-4-11(5-7-12)9-17-15(20)13-10-18-19-8-2-1-3-14(13)19/h4-7,10H,1-3,8-9H2,(H,17,20)
InChIKey: HVMSJMIBUMLXDJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1CNC(=O)c2cnn3c2CCCC3)F
CACTVS 3.385Fc1ccc(CNC(=O)c2cnn3CCCCc23)cc1
ACDLabs 12.01N(Cc1ccc(cc1)F)C(=O)c2cnn3c2CCCC3
Name:N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
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).