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BioLiP

PDB CCD ID: CTD
Number of entries in BioLiP: 1
Chemical formula: C10 H14 N2 O5
InChI: InChI=1S/C10H14N2O5/c11-5-1-2-12(7(14)3-5)10-9(16)8(15)6(4-13)17-10/h1-3,6,8-10,13,15-16H,4,11H2/t6-,8-,9-,10-/m1/s1
InChIKey: OGADSZTVCUXSOK-PEBGCTIMSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=CN(C(=O)C=C1N)C2C(C(C(O2)CO)O)O
CACTVS 3.341NC1=CC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)C=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
CACTVS 3.341NC1=CC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O)[CH]2O
ACDLabs 10.04O=C1C=C(N)C=CN1C2OC(C(O)C2O)CO
Name:3-DEAZACYTIDINE
ChEMBL: CHEMBL1231969
DrugBank: DB04385
ZINC: ZINC000006091564
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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