SEQ2FUN

BioLiP

PDB CCD ID: A1AYJ
Number of entries in BioLiP: 1
Chemical formula: C10 H20 N2 O S
InChI: InChI=1S/C10H20N2OS/c13-8-7-11-10(14)12-9-5-3-1-2-4-6-9/h9,13H,1-8H2,(H2,11,12,14)
InChIKey: XZVAQQCCBIIANR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1CCCC(CC1)NC(=S)NCCO
ACDLabs 12.01
CACTVS 3.385		OCCNC(=S)NC1CCCCCC1
Name:N-cycloheptyl-N'-(2-hydroxyethyl)thiourea
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).