SEQ2FUN

BioLiP

PDB CCD ID: PTW
Number of entries in BioLiP: 2
Chemical formula: C6 H12 N3 P
InChI: InChI=1S/C6H12N3P/c1-7-2-9-3-8(1)5-10(4-7)6-9/h1-6H2
InChIKey: FXXRPTKTLVHPAR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N13CN2CN(CP(C1)C2)C3
CACTVS 3.370
OpenEye OEToolkits 1.7.0		C1N2CN3CN1CP(C2)C3
Name:1,3,5-triaza-7-phosphatricyclo[3.3.1.1~3,7~]decane;
1,3,5-Triaza-7-phosphaadamantane
ZINC: ZINC000019318998
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).