SEQ2FUN

BioLiP

PDB CCD ID: UGH
Number of entries in BioLiP: 1
Chemical formula: C5 H14 N2 S
InChI: InChI=1S/C5H14N2S/c6-2-1-3-7-4-5-8/h7-8H,1-6H2
InChIKey: YHPLKWQJMAYFCN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NCCCNCCS
OpenEye OEToolkits 2.0.7C(CN)CNCCS
Name:WR-1065
ChEMBL: CHEMBL1201382
ZINC: ZINC000004097420
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).