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BioLiP

PDB CCD ID: BPM
Number of entries in BioLiP: 2
Chemical formula: C13 H14 O8 P2
InChI: InChI=1S/C13H14O8P2/c14-22(15,16)20-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)21-23(17,18)19/h1-8H,9H2,(H2,14,15,16)(H2,17,18,19)
InChIKey: LGSCVLKUKMBYNC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370O[P](O)(=O)Oc1ccc(Cc2ccc(O[P](O)(O)=O)cc2)cc1
OpenEye OEToolkits 1.7.6c1cc(ccc1Cc2ccc(cc2)OP(=O)(O)O)OP(=O)(O)O
ACDLabs 12.01O=P(O)(O)Oc1ccc(cc1)Cc2ccc(OP(=O)(O)O)cc2
Name:4-PHOSPHONOOXY-PHENYL-METHYL-[4-PHOSPHONOOXY]BENZEN;
bis-(para-phosphophenyl)
DrugBank: DB07480
ZINC: ZINC000003871034
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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