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BioLiP

PDB CCD ID: XNY
Number of entries in BioLiP: 0
Chemical formula: C11 H15 N4 O7 P
InChI: InChI=1S/C11H15N4O7P/c12-10-7-5(1-2-13-10)15(4-14-7)11-9(17)8(16)6(22-11)3-21-23(18,19)20/h1-2,4,6,8-9,11,16-17H,3H2,(H2,12,13)(H2,18,19,20)/t6-,8-,9-,11-/m1/s1
InChIKey: YZVSCCUSJPOQJU-PNHWDRBUSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cnc(c2c1n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
OpenEye OEToolkits 2.0.7c1cnc(c2c1n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
CACTVS 3.385Nc1nccc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.385Nc1nccc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
ACDLabs 12.01c3cc2c(ncn2C1OC(C(C1O)O)COP(=O)(O)O)c(N)n3
Name:[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-3~{H}-imidazo[4,5-c]pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
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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