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BioLiP

PDB CCD ID: WNI
Number of entries in BioLiP: 2
Chemical formula: Ni O39 P W11
InChI: InChI=1S/Ni.O4P.35O.11W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKey: FYPBVTPREGHXRM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=[W]123O[Ni]456O[W]789(=O)O[W]%10%11(=O)(O1)O[W]%12%13(=O)(O2)O[W]%14%15%16(=O)O[W]%17(=O)(O4)(O3)O[W]%18%19(=O)(O[W]%20(=O)(O5)(O7)O[W]%21%22(=O)(O[W]%23(=O)(O%10)(O8)O[W](=O)(O%12)(O%14)(O%21)[O]%22%23[P@@](=[O]%11%13)([O]69%20)[O]%15%17%18)O%19)O%16
CACTVS 3.385O=[W]123O[Ni]456O[W]789(=O)O[W]%10%11(=O)(O1)O[W]%12%13(=O)(O2)O[W]%14%15%16(=O)O[W]%17(=O)(O4)(O3)O[W]%18%19(=O)(O[W]%20(=O)(O5)(O7)O[W]%21%22(=O)(O[W]%23(=O)(O%10)(O8)O[W](=O)(O%12)(O%14)(O%21)[O]%22%23[P](=[O]%11%13)([O]69%20)[O]%15%17%18)O%19)O%16
OpenEye OEToolkits 2.0.7O=[W]1234O[Ni]567O[W]89%10(=O)O55P%11%12=O11[W]%13(=O)(O2)(O8)O[W]11(=O)(O3)O[W]238(=O)O%11%11[W](=O)(O6)(O4)(O2)O[W]%112(=O)(O3)O[W]5(=O)(O7)(O9)O[W]34(=O)(O2)O%122[W](=O)(O%10)(O%13)(O3)O[W]2(=O)(O1)(O4)O8
Name:Ni-substituted alpha-Keggin
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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