SEQ2FUN

BioLiP

PDB CCD ID: S10
Number of entries in BioLiP: 0
Chemical formula: C9 H18 N2 O4
InChI: InChI=1S/C9H18N2O4/c1-3-14-8(12)10-6-5-7-11-9(13)15-4-2/h3-7H2,1-2H3,(H,10,12)(H,11,13)
InChIKey: BWWHOVJFNMPUKF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCOC(=O)NCCCNC(=O)OCC
ACDLabs 10.04O=C(OCC)NCCCNC(=O)OCC
Name:DIETHYL PROPANE-1,3-DIYLBISCARBAMATE
DrugBank: DB08501
ZINC: ZINC000001648938
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).