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BioLiP

PDB CCD ID: UNV
Number of entries in BioLiP: 1
Chemical formula: C8 H11 N O6 P2
InChI: InChI=1S/C8H11NO6P2/c10-16(11,12)8(17(13,14)15)4-6-2-1-3-9-7(6)5-8/h1-3H,4-5H2,(H2,10,11,12)(H2,13,14,15)
InChIKey: BKUBDCZNHKIXPI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2c1cc2c(nc1)CC(C2)(P(=O)(O)O)P(=O)(O)O
CACTVS 3.370O[P](O)(=O)C1(Cc2cccnc2C1)[P](O)(O)=O
ACDLabs 12.01O=P(O)(O)C2(Cc1cccnc1C2)P(=O)(O)O
Name:6,7-dihydro-5H-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid)
ChEMBL: CHEMBL317313
ZINC: ZINC000026733744
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)(download the PDF file).
  • 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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