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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

BioLiP

PDB CCD ID: 1QY
Number of entries in BioLiP: 4
Chemical formula: C17 H36 N3 O3 P
InChI: InChI=1S/C17H36N3O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-23-24(21,22)17-14-15-19-20-18/h2-17H2,1H3,(H,21,22)
InChIKey: VPIQHARZTFLBCM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCCO[P@@](=O)(CCCN=[N+]=[N-])O
ACDLabs 12.01[N-]=[N+]=N\CCCP(=O)(OCCCCCCCCCCCCCC)O
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCCOP(=O)(CCCN=[N+]=[N-])O
CACTVS 3.370CCCCCCCCCCCCCCO[P](O)(=O)CCCN=[N+]=[N-]
Name:tetradecyl hydrogen (R)-(3-azidopropyl)phosphonate
ZINC: ZINC000098208012

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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