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BioLiP

PDB CCD ID: 6HC
Number of entries in BioLiP: 0
Chemical formula: C10 H16 N3 O7 P
InChI: InChI=1S/C10H16N3O7P/c11-9-1-2-13(10(15)12-9)6-3-7(14)8(19-4-6)5-20-21(16,17)18/h1-2,6-8,14H,3-5H2,(H2,11,12,15)(H2,16,17,18)/t6-,7-,8+/m0/s1
InChIKey: YMMHAKLJCAQJRS-BIIVOSGPSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(COC(C1O)COP(=O)(O)O)N2C=CC(=NC2=O)N
ACDLabs 10.04O=C1N=C(N)C=CN1C2CC(O)C(OC2)COP(=O)(O)O
CACTVS 3.341NC1=NC(=O)N(C=C1)[CH]2CO[CH](CO[P](O)(O)=O)[CH](O)C2
CACTVS 3.341NC1=NC(=O)N(C=C1)[C@@H]2CO[C@H](CO[P](O)(O)=O)[C@@H](O)C2
OpenEye OEToolkits 1.5.0C1[C@@H](CO[C@@H]([C@H]1O)COP(=O)(O)O)N2C=CC(=NC2=O)N
Name:1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(CYTOSIN-1-YL)-6'-O-PHOSPHORYL-D-ARABINO-HEXITOL
ZINC: ZINC000058632397
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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