SEQ2FUN

BioLiP

PDB CCD ID: T0Y
Number of entries in BioLiP: 7
Chemical formula: C10 H15 N O S
InChI: InChI=1S/C10H15NOS/c12-10-1-4-11(5-2-10)7-9-3-6-13-8-9/h3,6,8,10,12H,1-2,4-5,7H2
InChIKey: JQJVNJKLFUBEBG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC1CCN(CC1)Cc2cscc2
ACDLabs 12.01C1CN(CCC1O)Cc2cscc2
OpenEye OEToolkits 2.0.7c1cscc1CN2CCC(CC2)O
Name:1-[(thiophen-3-yl)methyl]piperidin-4-ol
ZINC: ZINC000000200753
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).