BioLiP

PDB

BioLiP

PDB CCD ID:

G36

Number of entries in BioLiP:

Chemical formula:

C12 H18 N5 O7 P

InChI:

InChI=1S/C12H18N5O7P/c1-2-22-11-9-10(15-12(13)16-11)17(5-14-9)8-3-6(18)7(24-8)4-23-25(19,20)21/h5-8,18H,2-4H2,1H3,(H2,13,15,16)(H2,19,20,21)/t6-,7+,8+/m0/s1

InChIKey:

WXGDGPAAUVLZNL-XLPZGREQSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=P(O)(O)OCC3OC(n2cnc1c2nc(nc1OCC)N)CC3O
OpenEye OEToolkits 1.5.0	CCOc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O
CACTVS 3.341	CCOc1nc(N)nc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3
CACTVS 3.341	CCOc1nc(N)nc2n(cnc12)[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3
OpenEye OEToolkits 1.5.0	CCOc1c2c(nc(n1)N)n(cn2)C3CC(C(O3)COP(=O)(O)O)O

Name:

O6-ETHYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE

ZINC:

ZINC000038261257

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).