SEQ2FUN

BioLiP

PDB CCD ID: A1CVE
Number of entries in BioLiP: 1
Chemical formula: C9 H18 N2 O S
InChI: InChI=1S/C9H18N2OS/c12-7-6-10-9(13)11-8-4-2-1-3-5-8/h8,12H,1-7H2,(H2,10,11,13)
InChIKey: OSSNZOUVMDUFJA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OCCNC(=S)NC1CCCCC1
OpenEye OEToolkits 3.1.0.0C1CCC(CC1)NC(=S)NCCO
ACDLabs 14.52S=C(NC1CCCCC1)NCCO
Name:N-cyclohexyl-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).