SEQ2FUN

BioLiP

PDB CCD ID: 8MG
Number of entries in BioLiP: 0
Chemical formula: C11 H16 N5 O7 P
InChI: InChI=1S/C11H16N5O7P/c1-4-13-8-9(14-11(12)15-10(8)18)16(4)7-2-5(17)6(23-7)3-22-24(19,20)21/h5-7,17H,2-3H2,1H3,(H2,19,20,21)(H3,12,14,15,18)/t5-,6+,7+/m0/s1
InChIKey: MKPWVGWAKMPLFJ-RRKCRQDMSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N
CACTVS 3.341Cc1nc2C(=O)NC(=Nc2n1[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3)N
ACDLabs 10.04O=C1c2nc(n(c2N=C(N)N1)C3OC(C(O)C3)COP(=O)(O)O)C
OpenEye OEToolkits 1.5.0Cc1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)N=C(NC2=O)N
CACTVS 3.341Cc1nc2C(=O)NC(=Nc2n1[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)N
Name:8-METHYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE
ZINC: ZINC000058638485
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).