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BioLiP

PDB CCD ID: US1
Number of entries in BioLiP: 0
Chemical formula: C9 H13 N2 O7 P S
InChI: InChI=1S/C9H13N2O7PS/c12-7-1-2-11(9(13)10-7)8-3-6(20)5(18-8)4-17-19(14,15)16/h1-2,5-6,8,20H,3-4H2,(H,10,12,13)(H2,14,15,16)/t5-,6+,8-/m1/s1
InChIKey: ITHXZXHCSXJEIA-GKROBHDKSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)S
CACTVS 3.341O[P](O)(=O)OC[CH]1O[CH](C[CH]1S)N2C=CC(=O)NC2=O
ACDLabs 10.04O=C1NC(=O)N(C=C1)C2OC(C(S)C2)COP(=O)(O)O
OpenEye OEToolkits 1.5.0C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)O)S
CACTVS 3.341O[P](O)(=O)OC[C@H]1O[C@H](C[C@@H]1S)N2C=CC(=O)NC2=O
Name:2'-DEOXY-3'-THIOURIDINE 5'-(DIHYDROGEN PHOSPHATE)
ZINC: ZINC000058649559
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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