SEQ2FUN

BioLiP

PDB CCD ID: 7UX
Number of entries in BioLiP: 2
Chemical formula: C16 H19 N3 O S
InChI: InChI=1S/C16H19N3OS/c1-19-9-7-13(8-10-19)15(20)18-16-17-11-14(21-16)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,17,18,20)
InChIKey: BTZKRRFKIKIADV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN1CCC(CC1)C(=O)Nc2sc(cn2)c3ccccc3
OpenEye OEToolkits 2.0.6CN1CCC(CC1)C(=O)Nc2ncc(s2)c3ccccc3
Name:1-methyl-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
ChEMBL: CHEMBL5181172
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).