BioLiP

PDB

BioLiP

PDB CCD ID:

G2S

Number of entries in BioLiP:

Chemical formula:

C10 H14 N5 O5 P S2

InChI:

InChI=1S/C10H14N5O5PS2/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(20-6)2-19-21(18,22)23/h3-6,16H,1-2H2,(H2,18,22,23)(H3,11,13,14,17)/t4-,5+,6+/m0/s1

InChIKey:

UTBRJOFAELGXIG-KVQBGUIXSA-N

SMILES:

Software	SMILES
CACTVS 3.341	NC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P@@](O)(S)=S)O3
OpenEye OEToolkits 1.5.0	c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=S)(O)S)O)N=C(NC2=O)N
CACTVS 3.341	NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(S)=S)O3
ACDLabs 10.04	O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3)COP(=S)(O)S
OpenEye OEToolkits 1.5.0	c1nc2c(n1C3CC(C(O3)COP(=S)(O)S)O)N=C(NC2=O)N

Name:

GUANOSINE-5'-DITHIOPHOSPHORATE

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).