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BioLiP

PDB CCD ID: RVP
Number of entries in BioLiP: 6
Chemical formula: C8 H13 N4 O8 P
InChI: InChI=1S/C8H13N4O8P/c9-6(15)7-10-2-12(11-7)8-5(14)4(13)3(20-8)1-19-21(16,17)18/h2-5,8,13-14H,1H2,(H2,9,15)(H2,16,17,18)/t3-,4-,5-,8-/m1/s1
InChIKey: SDWIOXKHTFOULX-AFCXAGJDSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(nn1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N
CACTVS 3.341NC(=O)c1ncn(n1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
ACDLabs 10.04O=C(c1ncn(n1)C2OC(C(O)C2O)COP(=O)(O)O)N
CACTVS 3.341NC(=O)c1ncn(n1)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0c1nc(nn1C2C(C(C(O2)COP(=O)(O)O)O)O)C(=O)N
Name:RIBAVIRIN MONOPHOSPHATE
ChEMBL: CHEMBL1235764
DrugBank: DB14663
ZINC: ZINC000012402859
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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