SEQ2FUN

BioLiP

PDB CCD ID: NUG
Number of entries in BioLiP: 4
Chemical formula: C10 H17 N O S
InChI: InChI=1S/C10H17NOS/c12-10-1-4-11(5-2-10)7-9-3-6-13-8-9/h3,10,12H,1-2,4-8H2
InChIKey: PFVAURGZHWBFTG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N2(CC1=CCSC1)CCC(CC2)O
OpenEye OEToolkits 2.0.6C1CN(CCC1O)CC2=CCSC2
CACTVS 3.385OC1CCN(CC1)CC2=CCSC2
Name:1-[(2,5-dihydrothiophen-3-yl)methyl]piperidin-4-ol
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).