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BioLiP

PDB CCD ID: H5P
Number of entries in BioLiP: 2
Chemical formula: C7 H11 N2 O9 P
InChI: InChI=1S/C7H11N2O9P/c10-3-2(1-17-19(14,15)16)18-7(4(3)11)5(12)8-6(13)9-7/h2-4,10-11H,1H2,(H2,14,15,16)(H2,8,9,12,13)/t2-,3-,4-,7+/m1/s1
InChIKey: HVXIMXHBUJADCC-GTBMBKLPSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O[CH]1[CH](O)[C]2(NC(=O)NC2=O)O[CH]1CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@H]([C@]2(O1)C(=O)NC(=O)N2)O)O)OP(=O)(O)O
CACTVS 3.341O[C@H]1[C@@H](O)[C@]2(NC(=O)NC2=O)O[C@@H]1CO[P](O)(O)=O
ACDLabs 10.04O=C2NC(=O)NC21OC(C(O)C1O)COP(=O)(O)O
OpenEye OEToolkits 1.5.0C(C1C(C(C2(O1)C(=O)NC(=O)N2)O)O)OP(=O)(O)O
Name:HYDANTOCIDIN-5'-PHOSPHATE
ChEMBL: CHEMBL323799
DrugBank: DB02493
ZINC: ZINC000013507911
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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