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BioLiP

PDB CCD ID: 2GF
Number of entries in BioLiP: 0
Chemical formula: C9 H11 Cl N3 O7 P
InChI: InChI=1S/C9H11ClN3O7P/c10-4-2-13(9(15)12-8(4)11)7-1-5(14)6(20-7)3-19-21(16,17)18/h2,6-7H,1,3H2,(H2,11,12,15)(H2,16,17,18)/t6-,7-/m1/s1
InChIKey: ALLUETJMPVZHQY-RNFRBKRXSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C(Cl)=C1)CC2=O
OpenEye OEToolkits 1.7.6C1C(OC(C1=O)COP(=O)(O)O)N2C=C(C(=NC2=O)N)Cl
OpenEye OEToolkits 1.7.6C1[C@@H](O[C@@H](C1=O)COP(=O)(O)O)N2C=C(C(=NC2=O)N)Cl
CACTVS 3.385NC1=NC(=O)N(C=C1Cl)[C@H]2CC(=O)[C@@H](CO[P](O)(O)=O)O2
CACTVS 3.385NC1=NC(=O)N(C=C1Cl)[CH]2CC(=O)[CH](CO[P](O)(O)=O)O2
Name:[(2R,5R)-5-(4-amino-5-chloro-2-oxopyrimidin-1(2H)-yl)-3-oxotetrahydrofuran-2-yl]methyl dihydrogen phosphate;
5-CHLORO DEOXYCYTIDINE-5'-MONOPHOSPHATE
ZINC: ZINC000098208169
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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