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BioLiP Library

PDB CCD ID: ZOL
Number of entries in BioLiP: 42
Chemical formula: C5 H10 N2 O7 P2
InChI: InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)
InChIKey: XRASPMIURGNCCH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(Cn1ccnc1)([P](O)(O)=O)[P](O)(O)=O
ACDLabs 10.04O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O
OpenEye OEToolkits 1.5.0c1cn(cn1)CC(O)(P(=O)(O)O)P(=O)(O)O
Name:ZOLEDRONIC ACID;
(1-HYDROXY-2-IMIDAZOL-1-YLETHYLIDENE)DIPHOSPHONIC ACID
ChEMBL: CHEMBL924
DrugBank: DB00399
ZINC: ZINC000003803652
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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