BioLiP

PDB

BioLiP

PDB CCD ID:

RFJ

Number of entries in BioLiP:

Chemical formula:

C11 H16 N5 O7 P S

InChI:

InChI=1S/C11H16N5O7PS/c1-21-7-6(17)4(2-22-24(19,20)25)23-10(7)16-3-13-5-8(16)14-11(12)15-9(5)18/h3-4,6-7,10,17H,2H2,1H3,(H2,19,20,25)(H3,12,14,15,18)/t4-,6-,7-,10-/m1/s1

InChIKey:

QUDYZWLGVZGRFN-KQYNXXCUSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COC1C(C(OC1n2cnc3c2N=C(NC3=O)N)COP(=S)(O)O)O
CACTVS 3.385	CO[CH]1[CH](O)[CH](CO[P](O)(O)=S)O[CH]1n2cnc3C(=O)NC(=Nc23)N
ACDLabs 12.01	COC3C(n2c1N=C(N)NC(c1nc2)=O)OC(C3O)COP(O)(O)=S
CACTVS 3.385	CO[C@@H]1[C@H](O)[C@@H](CO[P](O)(O)=S)O[C@H]1n2cnc3C(=O)NC(=Nc23)N
OpenEye OEToolkits 2.0.7	CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=S)(O)O)O

Name:

2'-O-methyl-5'-O-thiophosphonoguanosine

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).