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BioLiP

PDB CCD ID: SES
Number of entries in BioLiP: 4
Chemical formula: C10 H18 N2 Se
InChI: InChI=1S/C10H18N2Se/c1-3-5-7-8-9(6-4-2)13-10(11)12-8/h3-7H2,1-2H3,(H2,11,12)
InChIKey: DOUUMUUUWUAPPC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04n1c(c([se]c1N)CCC)CCCC
CACTVS 3.341CCCCc1nc(N)[se]c1CCC
OpenEye OEToolkits 1.5.0CCCCc1c([se]c(n1)N)CCC
Name:4-butyl-5-propyl-1,3-selenazol-2-amine
ChEMBL: CHEMBL1235902
DrugBank: DB01740
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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