SEQ2FUN

BioLiP

PDB CCD ID: FI5
Number of entries in BioLiP: 1
Chemical formula: C11 H15 N3 O2
InChI: InChI=1S/C11H15N3O2/c12-11(15)10-7-9(3-6-14-10)16-8-1-4-13-5-2-8/h3,6-8,13H,1-2,4-5H2,(H2,12,15)
InChIKey: NMMFHPWVBDVMFL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=O)c1cc(OC2CCNCC2)ccn1
OpenEye OEToolkits 2.0.7c1cnc(cc1OC2CCNCC2)C(=O)N
Name:4-piperidin-4-yloxypyridine-2-carboxamide
ChEMBL: CHEMBL4575911
ZINC: ZINC000051865451
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).