SEQ2FUN

BioLiP

PDB CCD ID: O0Q
Number of entries in BioLiP: 4
Chemical formula: C13 H14 N4 O
InChI: InChI=1S/C13H14N4O/c18-12(14-1-3-17-4-2-15-16-17)13-9-6-5-7(9)11(13)8(5)10(6)13/h2,4-11H,1,3H2,(H,14,18)/t5-,6+,7-,8+,9+,10-,11+,13+
InChIKey: OEUPRBXQNJLJSP-NFVYEKIASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cn(nn1)CCNC(=O)C23C4C5C2C6C5C4C36
CACTVS 3.385O=C(NCCn1ccnn1)C23C4C5C6C4C2C6C35
Name:~{N}-[2-(1,2,3-triazol-1-yl)ethyl]cubane-1-carboxamide
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).