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BioLiP

PDB CCD ID: S6G
Number of entries in BioLiP: 0
Chemical formula: C10 H14 N5 O6 P S
InChI: InChI=1S/C10H14N5O6PS/c11-10-13-8-7(9(23)14-10)12-3-15(8)6-1-4(16)5(21-6)2-20-22(17,18)19/h3-6,16H,1-2H2,(H2,17,18,19)(H3,11,13,14,23)/t4-,5+,6+/m0/s1
InChIKey: YIPMDIYPXBPBNC-KVQBGUIXSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04S=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3)COP(=O)(O)O
CACTVS 3.385NC1=Nc2n(cnc2C(=S)N1)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3
CACTVS 3.385NC1=Nc2n(cnc2C(=S)N1)[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3
OpenEye OEToolkits 1.7.5c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)N=C(NC2=S)N
OpenEye OEToolkits 1.7.5c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=S)N
Name:6-THIO-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE
ZINC: ZINC000001609814
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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