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BioLiP

PDB CCD ID: XOP
Number of entries in BioLiP: 3
Chemical formula: C14 H20 N O3 P
InChI: InChI=1S/C14H20NO3P/c1-15-11-7-8-12(15)10-13(9-11)18-19(16,17)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3,(H,16,17)/t11-,12+,13+
InChIKey: DUXLOXDDMDLSLH-ITGUQSILSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1CN1C2CCC1CC(C2)OP(=O)(c3ccccc3)O
ACDLabs 12.01OP(OC2CC1N(C)C(CC1)C2)c3ccccc3
CACTVS 3.352CN1[CH]2CC[CH]1CC(C2)O[P](O)(=O)c3ccccc3
CACTVS 3.352CN1[C@@H]2CC[C@H]1CC(C2)O[P](O)(=O)c3ccccc3
OpenEye OEToolkits 1.6.1CN1[C@@H]2CC[C@H]1CC(C2)O[P@@](=O)(c3ccccc3)O
Name:8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL PHENYLPHOSPHONATE
ZINC: ZINC000263620378
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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