SEQ2FUN

BioLiP

PDB CCD ID: A1I4R
Number of entries in BioLiP: 1
Chemical formula: C11 H11 N O2 S
InChI: InChI=1S/C11H11NO2S/c13-10-7-6-9(11(14)12-10)15-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13,14)/t9-/m1/s1
InChIKey: DVTWEZHTLIJLKO-SECBINFHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C1CC[C@@H](Sc2ccccc2)C(=O)N1
OpenEye OEToolkits 2.0.7c1ccc(cc1)SC2CCC(=O)NC2=O
OpenEye OEToolkits 2.0.7c1ccc(cc1)S[C@@H]2CCC(=O)NC2=O
CACTVS 3.385O=C1CC[CH](Sc2ccccc2)C(=O)N1
Name:(3R)-3-phenylsulfanylpiperidine-2,6-dione
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).