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BioLiP

PDB CCD ID: ISU
Number of entries in BioLiP: 3
Chemical formula: C3 H8 N2 Se
InChI: InChI=1S/C3H8N2Se/c1-2-6-3(4)5/h2H2,1H3,(H3,4,5)
InChIKey: FFKYNFXDBBLWGF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0[H]N=C(N)[Se]CC
OpenEye OEToolkits 1.5.0[H]/N=C(/N)\[Se]CC
CACTVS 3.341CC[Se]C(N)=N
ACDLabs 10.04[N@H]=C([Se]CC)N
Name:SE-ETHYL-ISOSELENOUREA
DrugBank: DB02589
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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