BioLiP

PDB

BioLiP

PDB CCD ID:

G32

Number of entries in BioLiP:

Chemical formula:

C11 H16 N5 O7 P

InChI:

InChI=1/C11H16N5O7P/c1-21-10-8-9(14-11(12)15-10)16(4-13-8)7-2-5(17)6(23-7)3-22-24(18,19)20/h4-7,17H,2-3H2,1H3,(H2,12,14,15)(H2,18,19,20)/t5-,6+,7+/m0/s1/f/h18-19H,12H2

InChIKey:

GFRAHVJOXXMIDI-XSXBNAMCDE

SMILES:

Software	SMILES
CACTVS 3.341	COc1nc(N)nc2n(cnc12)[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3
OpenEye OEToolkits 1.5.0	COc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O
CACTVS 3.341	COc1nc(N)nc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3
OpenEye OEToolkits 1.5.0	COc1c2c(nc(n1)N)n(cn2)C3CC(C(O3)COP(=O)(O)O)O
ACDLabs 10.04	O=P(O)(O)OCC3OC(n2cnc1c2nc(nc1OC)N)CC3O

Name:

O6-METHYL-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE

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).